[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H18BrClN2O3 MolecularWeight: 509.77902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18BrClN2O3/c26-18-8-5-7-16(12-18)23-13-20(19-9-2-4-11-22(19)29-23)25(31)32-15-24(30)28-14-17-6-1-3-10-21(17)27/h1-13H,14-15H2,(H,28,30)