[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C26H21BrN2O3 MolecularWeight: 489.36054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H21BrN2O3/c1-17(18-8-3-2-4-9-18)28-25(30)16-32-26(31)22-15-24(19-10-7-11-20(27)14-19)29-23-13-6-5-12-21(22)23/h2-15,17H,16H2,1H3,(H,28,30)/t17-/m0/s1