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

Systemtic Name: 3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl 1-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: 3-(3-fluoro-6-methoxy-4-quinolyl)propyl 1-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-(3-phenylpropyl)-4-piperidinecarboxylic acid 3-(3-fluoro-6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(3-fluoro-6-methoxyquinolin-4-yl)propyl 1-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(3-phenylpropyl)isonipecotic acid 3-(3-fluoro-6-methoxy-4-quinolyl)propyl ester Formula: C28H33FN2O3 MolecularWeight: 464.571623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCOC(=O)C3CCN(CC3)CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCOC(=O)C3CCN(CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H33FN2O3/c1-33-23-11-12-27-25(19-23)24(26(29)20-30-27)10-6-18-34-28(32)22-13-16-31(17-14-22)15-5-9-21-7-3-2-4-8-21/h2-4,7-8,11-12,19-20,22H,5-6,9-10,13-18H2,1H3