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

Systemtic Name: 6-[(3-chloranyl-2-methyl-phenyl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(3-chloro-2-methyl-phenyl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(3-chloro-2-methylanilino)-oxomethyl]-4-methyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(3-chloro-2-methylphenyl)carbamoyl]-4-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3-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(=CC=C2)Cl)C)C(=O)O

Isomeric SMILES

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

InChI

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