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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > amidobenzoic acid > 4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester
organooxygen compound > carboxamide > monocarboxylic acid amide > amidobenzoic acid > 4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > amidobenzoic acid > 4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > amidobenzoic acid > 4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > amidobenzoic acid > 4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > amidobenzoic acid > 4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > amidobenzoic acid > 4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester
organic aromatic compound > aromatic carboxylic acid > benzoic acids > amidobenzoic acid > 4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester

Preferred term

4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H22ClN3O3

inchi

  • InChI=1S/C20H22ClN3O3/c1-27-20(26)15-2-6-17(7-3-15)22-19(25)14-23-10-12-24(13-11-23)18-8-4-16(21)5-9-18/h2-9H,10-14H2,1H3,(H,22,25)

inchikey

  • WLIODTVOCGVXFW-UHFFFAOYSA-N

mass

  • 387.861

monoisotopicmass

  • 387.13497

smiles

  • COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112712

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