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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > rti-112

Preferred term

rti-112  

Type

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

Broader concept

charge

  • 0

formula

  • C17H22ClNO2

inchi

  • InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12?,13-,15?,16+/m1/s1

inchikey

  • VMITZEMDDZVHBZ-FYAIKVRKSA-N

mass

  • 307.820

monoisotopicmass

  • 307.13391

smiles

  • CC1=CC(=CC=C1Cl)[C@]2(CC3(CCC([H])([C@@]2([H])C(=O)OC)N3C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • methyl (2S,3S)-3-(4-chloro-3-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232744

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