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

Systemtic Name: [2-oxidanylidene-2-(1-phenethylpiperidin-4-yl)oxy-ethyl] 2-[(7-chloranylquinolin-4-yl)amino]benzoate Openeye Name: [2-oxo-2-[(1-phenethyl-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-phenethyl-4-piperidinyl)oxy]ethyl] ester IUPAC Name: [2-oxo-2-(1-phenethylpiperidin-4-yl)oxyethyl] 2-[(7-chloroquinolin-4-yl)amino]benzoate Traditional Name: 2-[(7-chloro-4-quinolyl)amino]benzoic acid [2-keto-2-[(1-phenethyl-4-piperidyl)oxy]ethyl] ester Formula: C31H30ClN3O4 MolecularWeight: 544.0406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)COC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1OC(=O)COC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl)CCC5=CC=CC=C5

InChI

InChI=1S/C31H30ClN3O4/c32-23-10-11-25-28(12-16-33-29(25)20-23)34-27-9-5-4-8-26(27)31(37)38-21-30(36)39-24-14-18-35(19-15-24)17-13-22-6-2-1-3-7-22/h1-12,16,20,24H,13-15,17-19,21H2,(H,33,34)