[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenyl-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-(3,5-dichloroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C29H19Cl2N3O3 MolecularWeight: 528.38546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=CC(=C2)Cl)Cl)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=CC(=C2)Cl)Cl)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C29H19Cl2N3O3/c30-20-14-21(31)16-22(15-20)33-28(35)27(19-6-2-1-3-7-19)37-29(36)24-17-26(18-10-12-32-13-11-18)34-25-9-5-4-8-23(24)25/h1-17,27H,(H,33,35)