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

Systemtic Name: 6-[(4-chloranyl-2-methyl-phenyl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(4-chloro-2-methyl-phenyl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(4-chloro-2-methylanilino)-oxomethyl]-4-methyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(4-chloro-2-methylphenyl)carbamoyl]-4-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(4-chloro-2-methyl-phenyl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO3/c1-9-3-5-12(16(20)21)13(7-9)15(19)18-14-6-4-11(17)8-10(14)2/h3-4,6,8,12-13H,5,7H2,1-2H3,(H,18,19)(H,20,21)