methyl (2S,3S)-2-(4-bromophenyl)-1-ethanoyl-2,3-dihydroindole-3-carboxylate

Systemtic Name: methyl (2S,3S)-2-(4-bromophenyl)-1-ethanoyl-2,3-dihydroindole-3-carboxylate Openeye Name: methyl (2S,3S)-1-acetyl-2-(4-bromophenyl)indoline-3-carboxylate CAS Name: (2S,3S)-1-acetyl-2-(4-bromophenyl)-2,3-dihydroindole-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-1-acetyl-2-(4-bromophenyl)-2,3-dihydroindole-3-carboxylate Traditional Name: (2S,3S)-1-acetyl-2-(4-bromophenyl)indoline-3-carboxylic acid methyl ester Formula: C18H16BrNO3 MolecularWeight: 374.22854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(C2=CC=CC=C21)C(=O)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)N1[C@@H]([C@H](C2=CC=CC=C21)C(=O)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrNO3/c1-11(21)20-15-6-4-3-5-14(15)16(18(22)23-2)17(20)12-7-9-13(19)10-8-12/h3-10,16-17H,1-2H3/t16-,17+/m0/s1