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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > amino-acid ester > alpha-amino acid ester > 2-[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5h-imidazo[1,2-a]azepin-1-ium-1-yl]acetic acid [(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexyl] ester
... > organooxygen compound > carbonyl compound > carboxylic ester > amino-acid ester > alpha-amino acid ester > 2-[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5h-imidazo[1,2-a]azepin-1-ium-1-yl]acetic acid [(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexyl] ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > amino-acid ester > alpha-amino acid ester > 2-[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5h-imidazo[1,2-a]azepin-1-ium-1-yl]acetic acid [(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexyl] ester

Preferred term

2-[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5h-imidazo[1,2-a]azepin-1-ium-1-yl]acetic acid [(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexyl] ester  

Type

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

Broader concept

charge

  • +1

formula

  • C26H36ClN2O2

inchi

  • InChI=1S/C26H36ClN2O2/c1-18(2)22-13-8-19(3)15-24(22)31-26(30)17-28-16-23(20-9-11-21(27)12-10-20)29-14-6-4-5-7-25(28)29/h9-12,16,18-19,22,24H,4-8,13-15,17H2,1-3H3/q+1/t19-,22+,24-/m1/s1

inchikey

  • OWJNNMGFSZEVIL-WNOPAQSVSA-N

mass

  • 444.030

monoisotopicmass

  • 443.24598

smiles

  • C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[N+]2=C3CCCCCN3C(=C2)C4=CC=C(C=C4)Cl)C(C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:103901

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