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

Systemtic Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H17BrCl2N2O3 MolecularWeight: 544.22408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC(=O)NCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC(=O)NCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H17BrCl2N2O3/c26-17-8-5-15(6-9-17)23-12-20(19-3-1-2-4-22(19)30-23)25(32)33-14-24(31)29-13-16-7-10-18(27)11-21(16)28/h1-12H,13-14H2,(H,29,31)