(phenylmethyl) 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: benzyl 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)propyl]-1-(3-phenylpropyl)-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-(3-phenylpropyl)isonipecotic acid benzyl ester Formula: C35H39ClN2O3 MolecularWeight: 571.14876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H39ClN2O3/c1-40-29-16-17-33-31(24-29)30(32(36)25-37-33)15-8-18-35(34(39)41-26-28-12-6-3-7-13-28)19-22-38(23-20-35)21-9-14-27-10-4-2-5-11-27/h2-7,10-13,16-17,24-25H,8-9,14-15,18-23,26H2,1H3