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

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C24H18ClN3O3 MolecularWeight: 431.87102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)OCC(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)OCC(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H18ClN3O3/c25-17-7-5-6-16(12-17)14-27-23(29)15-31-24(30)19-13-22(21-10-3-4-11-26-21)28-20-9-2-1-8-18(19)20/h1-13H,14-15H2,(H,27,29)