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

Systemtic Name: 6-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(3-chloro-4-fluoro-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(3-chloro-4-fluoroanilino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(3-chloro-4-fluorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3-chloro-4-fluoro-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C16H17ClFNO3 MolecularWeight: 325.762483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClFNO3/c1-8-5-11(12(16(21)22)6-9(8)2)15(20)19-10-3-4-14(18)13(17)7-10/h3-4,7,11-12H,5-6H2,1-2H3,(H,19,20)(H,21,22)