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

Systemtic Name: (1S,6R)-6-[(3-chloranyl-4-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(3-chloro-4-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[(3-chloro-4-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(3-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(3-chloro-4-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H16ClNO3 MolecularWeight: 293.74544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC=CCC2C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)Cl

InChI

InChI=1S/C15H16ClNO3/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(19)20/h2-3,6-8,11-12H,4-5H2,1H3,(H,17,18)(H,19,20)/t11-,12+/m1/s1