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

Systemtic Name: (1S,6R)-6-[(3-bromophenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(3-bromophenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[(3-bromoanilino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(3-bromophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(3-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=C2)Br)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrNO3/c1-9-6-13(14(16(20)21)7-10(9)2)15(19)18-12-5-3-4-11(17)8-12/h3-5,8,13-14H,6-7H2,1-2H3,(H,18,19)(H,20,21)/t13-,14+/m1/s1