(2-oxidanylidene-2-piperidin-4-yloxy-ethyl) 2-[(7-chloranylquinolin-4-yl)-phenethyl-amino]benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-4-yloxy-ethyl) 2-[(7-chloranylquinolin-4-yl)-phenethyl-amino]benzoate Openeye Name: [2-oxo-2-(4-piperidyloxy)ethyl] 2-[(7-chloro-4-quinolyl)-phenethyl-amino]benzoate CAS Name: 2-[(7-chloro-4-quinolinyl)-phenethylamino]benzoic acid [2-oxo-2-(4-piperidinyloxy)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-4-yloxyethyl) 2-[(7-chloroquinolin-4-yl)-phenethylamino]benzoate Traditional Name: 2-[(7-chloro-4-quinolyl)-phenethyl-amino]benzoic acid [2-keto-2-(4-piperidyloxy)ethyl] ester Formula: C31H30ClN3O4 MolecularWeight: 544.0406

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC(=O)COC(=O)C2=CC=CC=C2N(CCC3=CC=CC=C3)C4=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

C1CNCCC1OC(=O)COC(=O)C2=CC=CC=C2N(CCC3=CC=CC=C3)C4=C5C=CC(=CC5=NC=C4)Cl

InChI

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