3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl 1-(2-phenylsulfanylethyl)piperidine-4-carboxylate

Systemtic Name: 3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl 1-(2-phenylsulfanylethyl)piperidine-4-carboxylate Openeye Name: 3-(3-fluoro-6-methoxy-4-quinolyl)propyl 1-(2-phenylsulfanylethyl)piperidine-4-carboxylate CAS Name: 1-[2-(phenylthio)ethyl]-4-piperidinecarboxylic acid 3-(3-fluoro-6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(3-fluoro-6-methoxyquinolin-4-yl)propyl 1-(2-phenylsulfanylethyl)piperidine-4-carboxylate Traditional Name: 1-[2-(phenylthio)ethyl]isonipecotic acid 3-(3-fluoro-6-methoxy-4-quinolyl)propyl ester Formula: C27H31FN2O3S MolecularWeight: 482.610043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCOC(=O)C3CCN(CC3)CCSC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCOC(=O)C3CCN(CC3)CCSC4=CC=CC=C4

InChI

InChI=1S/C27H31FN2O3S/c1-32-21-9-10-26-24(18-21)23(25(28)19-29-26)8-5-16-33-27(31)20-11-13-30(14-12-20)15-17-34-22-6-3-2-4-7-22/h2-4,6-7,9-10,18-20H,5,8,11-17H2,1H3