[2-oxidanylidene-2-(1-phenacylpiperidin-4-yl)oxy-ethyl] 2-[(7-chloranylquinolin-4-yl)amino]benzoate

Systemtic Name: [2-oxidanylidene-2-(1-phenacylpiperidin-4-yl)oxy-ethyl] 2-[(7-chloranylquinolin-4-yl)amino]benzoate Openeye Name: [2-oxo-2-[(1-phenacyl-4-piperidyl)oxy]ethyl] 2-[(7-chloro-4-quinolyl)amino]benzoate CAS Name: 2-[(7-chloro-4-quinolinyl)amino]benzoic acid [2-oxo-2-[(1-phenacyl-4-piperidinyl)oxy]ethyl] ester IUPAC Name: [2-oxo-2-(1-phenacylpiperidin-4-yl)oxyethyl] 2-[(7-chloroquinolin-4-yl)amino]benzoate Traditional Name: 2-[(7-chloro-4-quinolyl)amino]benzoic acid [2-keto-2-[(1-phenacyl-4-piperidyl)oxy]ethyl] ester Formula: C31H28ClN3O5 MolecularWeight: 558.02412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)COC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl)CC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1OC(=O)COC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl)CC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H28ClN3O5/c32-22-10-11-24-27(12-15-33-28(24)18-22)34-26-9-5-4-8-25(26)31(38)39-20-30(37)40-23-13-16-35(17-14-23)19-29(36)21-6-2-1-3-7-21/h1-12,15,18,23H,13-14,16-17,19-20H2,(H,33,34)