[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl] ester Formula: C24H17Cl2N3O3 MolecularWeight: 466.31608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17Cl2N3O3/c25-17-8-7-15(20(26)10-17)13-28-23(30)14-32-24(31)19-11-22(16-4-3-9-27-12-16)29-21-6-2-1-5-18(19)21/h1-12H,13-14H2,(H,28,30)