(1R,6S)-6-[(2-bromophenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(2-bromophenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(2-bromophenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[(2-bromoanilino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(2-bromophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(2-bromophenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC=CC=C2Br)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2=CC=CC=C2Br)C(=O)O)C

InChI

InChI=1S/C16H18BrNO3/c1-9-7-11(12(16(20)21)8-10(9)2)15(19)18-14-6-4-3-5-13(14)17/h3-6,11-12H,7-8H2,1-2H3,(H,18,19)(H,20,21)/t11-,12+/m0/s1