6-[[4-methyl-2-(phenylcarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-methyl-2-(phenylcarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(2-benzoyl-4-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(2-benzoyl-4-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(2-benzoyl-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(2-benzoyl-4-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CC=CCC2C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CC=CCC2C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO4/c1-14-11-12-19(18(13-14)20(24)15-7-3-2-4-8-15)23-21(25)16-9-5-6-10-17(16)22(26)27/h2-8,11-13,16-17H,9-10H2,1H3,(H,23,25)(H,26,27)