1-[2-(4-chloranyl-2-methyl-phenyl)ethanoylamino]-3,4-dimethyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-(4-chloranyl-2-methyl-phenyl)ethanoylamino]-3,4-dimethyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[[2-(4-chloro-2-methyl-phenyl)acetyl]amino]-3,4-dimethyl-cyclohexanecarboxylic acid CAS Name: 1-[[2-(4-chloro-2-methylphenyl)-1-oxoethyl]amino]-3,4-dimethyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[2-(4-chloro-2-methylphenyl)acetyl]amino]-3,4-dimethylcyclohexane-1-carboxylic acid Traditional Name: 1-[[2-(4-chloro-2-methyl-phenyl)acetyl]amino]-3,4-dimethyl-cyclohexanecarboxylic acid Formula: C18H24ClNO3 MolecularWeight: 337.84106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1C)(C(=O)O)NC(=O)CC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CC1CCC(CC1C)(C(=O)O)NC(=O)CC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C18H24ClNO3/c1-11-6-7-18(17(22)23,10-13(11)3)20-16(21)9-14-4-5-15(19)8-12(14)2/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,20,21)(H,22,23)