6-(4-chlorophenyl)-4-methyl-1-[(phenylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-(4-chlorophenyl)-4-methyl-1-[(phenylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 1-(benzylcarbamoyl)-6-(4-chlorophenyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-(4-chlorophenyl)-4-methyl-1-[oxo-[(phenylmethyl)amino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 1-(benzylcarbamoyl)-6-(4-chlorophenyl)-4-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: 1-(benzylcarbamoyl)-6-(4-chlorophenyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C22H22ClNO3 MolecularWeight: 383.86798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C2=CC=C(C=C2)Cl)(C(=O)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CCC(C(C1)C2=CC=C(C=C2)Cl)(C(=O)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H22ClNO3/c1-15-11-12-22(21(26)27,19(13-15)17-7-9-18(23)10-8-17)20(25)24-14-16-5-3-2-4-6-16/h2-11,19H,12-14H2,1H3,(H,24,25)(H,26,27)