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

Systemtic Name: 2-(3-fluorophenyl)sulfanylethyl 4-[3-(6-methoxyquinolin-4-yl)propyl]-3-oxidanyl-piperidine-3-carboxylate Openeye Name: 2-(3-fluorophenyl)sulfanylethyl 3-hydroxy-4-[3-(6-methoxy-4-quinolyl)propyl]piperidine-3-carboxylate CAS Name: 3-hydroxy-4-[3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinecarboxylic acid 2-[(3-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(3-fluorophenyl)sulfanylethyl 3-hydroxy-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylate Traditional Name: 3-hydroxy-4-[3-(6-methoxy-4-quinolyl)propyl]nipecotic acid 2-[(3-fluorophenyl)thio]ethyl ester Formula: C27H31FN2O4S MolecularWeight: 498.609443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCCC3CCNCC3(C(=O)OCCSC4=CC=CC(=C4)F)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCCC3CCNCC3(C(=O)OCCSC4=CC=CC(=C4)F)O

InChI

InChI=1S/C27H31FN2O4S/c1-33-22-8-9-25-24(17-22)19(10-13-30-25)4-2-5-20-11-12-29-18-27(20,32)26(31)34-14-15-35-23-7-3-6-21(28)16-23/h3,6-10,13,16-17,20,29,32H,2,4-5,11-12,14-15,18H2,1H3