propan-2-yl (1S,6S)-6-[(2-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: propan-2-yl (1S,6S)-6-[(2-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: isopropyl (1S,6S)-6-[(2-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(2-bromoanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (1S,6S)-6-[(2-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(2-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid isopropyl ester Formula: C17H20BrNO3 MolecularWeight: 366.2496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CC=CCC1C(=O)NC2=CC=CC=C2Br

Isomeric SMILES

CC(C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C17H20BrNO3/c1-11(2)22-17(21)13-8-4-3-7-12(13)16(20)19-15-10-6-5-9-14(15)18/h3-6,9-13H,7-8H2,1-2H3,(H,19,20)/t12-,13-/m0/s1