3-(6-methoxyquinolin-4-yl)propyl 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-3-carboxylate

Systemtic Name: 3-(6-methoxyquinolin-4-yl)propyl 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-3-carboxylate Openeye Name: 3-(6-methoxy-4-quinolyl)propyl 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-3-carboxylate CAS Name: 1-[2-[(2-fluorophenyl)thio]ethyl]-3-piperidinecarboxylic acid 3-(6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(6-methoxyquinolin-4-yl)propyl 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(2-fluorophenyl)thio]ethyl]nipecotic acid 3-(6-methoxy-4-quinolyl)propyl ester Formula: C27H31FN2O3S MolecularWeight: 482.610043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCCOC(=O)C3CCCN(C3)CCSC4=CC=CC=C4F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCCOC(=O)C3CCCN(C3)CCSC4=CC=CC=C4F

InChI

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