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

Systemtic Name: 6-[(4-chloranyl-2-methyl-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(4-chloro-2-methyl-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(4-chloro-2-methylanilino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(4-chloro-2-methylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(4-chloro-2-methyl-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=C(C=C(C=C2)Cl)C)C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)NC2=C(C=C(C=C2)Cl)C)C(=O)O)C

InChI

InChI=1S/C17H20ClNO3/c1-9-7-13(14(17(21)22)8-10(9)2)16(20)19-15-5-4-12(18)6-11(15)3/h4-6,13-14H,7-8H2,1-3H3,(H,19,20)(H,21,22)