3-(6-methoxyquinolin-4-yl)propyl 1-(2-phenylsulfanylethyl)piperidine-3-carboxylate

Systemtic Name: 3-(6-methoxyquinolin-4-yl)propyl 1-(2-phenylsulfanylethyl)piperidine-3-carboxylate Openeye Name: 3-(6-methoxy-4-quinolyl)propyl 1-(2-phenylsulfanylethyl)piperidine-3-carboxylate CAS Name: 1-[2-(phenylthio)ethyl]-3-piperidinecarboxylic acid 3-(6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(6-methoxyquinolin-4-yl)propyl 1-(2-phenylsulfanylethyl)piperidine-3-carboxylate Traditional Name: 1-[2-(phenylthio)ethyl]nipecotic acid 3-(6-methoxy-4-quinolyl)propyl ester Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCCOC(=O)C3CCCN(C3)CCSC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCCOC(=O)C3CCCN(C3)CCSC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O3S/c1-31-23-11-12-26-25(19-23)21(13-14-28-26)8-6-17-32-27(30)22-7-5-15-29(20-22)16-18-33-24-9-3-2-4-10-24/h2-4,9-14,19,22H,5-8,15-18,20H2,1H3