(1R,6S)-6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[(3-chlorophenyl)methylamino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(3-chlorobenzyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCC2=CC(=CC=C2)Cl)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NCC2=CC(=CC=C2)Cl)C(=O)O)C

InChI

InChI=1S/C17H20ClNO3/c1-10-6-14(15(17(21)22)7-11(10)2)16(20)19-9-12-4-3-5-13(18)8-12/h3-5,8,14-15H,6-7,9H2,1-2H3,(H,19,20)(H,21,22)/t14-,15+/m0/s1