(1R,6S)-6-[(5-chloranyl-2-methoxy-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(5-chloranyl-2-methoxy-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(5-chloro-2-methoxy-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(5-chloro-2-methoxyanilino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(5-chloro-2-methoxy-phenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C17H20ClNO4 MolecularWeight: 337.798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2=C(C=CC(=C2)Cl)OC)C(=O)O)C

InChI

InChI=1S/C17H20ClNO4/c1-9-6-12(13(17(21)22)7-10(9)2)16(20)19-14-8-11(18)4-5-15(14)23-3/h4-5,8,12-13H,6-7H2,1-3H3,(H,19,20)(H,21,22)/t12-,13+/m0/s1