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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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