[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C27H21BrN2O5 MolecularWeight: 533.37004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21BrN2O5/c1-34-26(32)19-8-6-17(7-9-19)15-29-25(31)16-35-27(33)22-14-24(18-10-12-20(28)13-11-18)30-23-5-3-2-4-21(22)23/h2-14H,15-16H2,1H3,(H,29,31)