methyl (3R,4R)-4-[(3Z)-3-hydroxyimino-3-(6-methoxyquinolin-3-yl)propyl]-1-[3-[2,3,5-tris(fluoranyl)phenyl]prop-2-ynyl]piperidine-3-carboxylate

Systemtic Name: methyl (3R,4R)-4-[(3Z)-3-hydroxyimino-3-(6-methoxyquinolin-3-yl)propyl]-1-[3-[2,3,5-tris(fluoranyl)phenyl]prop-2-ynyl]piperidine-3-carboxylate Openeye Name: methyl (3R,4R)-4-[(3Z)-3-hydroxyimino-3-(6-methoxy-3-quinolyl)propyl]-1-[3-(2,3,5-trifluorophenyl)prop-2-ynyl]piperidine-3-carboxylate CAS Name: (3R,4R)-4-[(3Z)-3-hydroxyimino-3-(6-methoxy-3-quinolinyl)propyl]-1-[3-(2,3,5-trifluorophenyl)prop-2-ynyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4R)-4-[(3Z)-3-hydroxyimino-3-(6-methoxyquinolin-3-yl)propyl]-1-[3-(2,3,5-trifluorophenyl)prop-2-ynyl]piperidine-3-carboxylate Traditional Name: (3R,4R)-4-[(3Z)-3-hydroximino-3-(6-methoxy-3-quinolyl)propyl]-1-[3-(2,3,5-trifluorophenyl)prop-2-ynyl]nipecotic acid methyl ester Formula: C29H28F3N3O4 MolecularWeight: 539.54553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=CN=C2C=C1)C(=NO)CCC3CCN(CC3C(=O)OC)CC#CC4=CC(=CC(=C4F)F)F

Isomeric SMILES

COC1=CC2=CC(=CN=C2C=C1)/C(=N\O)/CC[C@@H]3CCN(C[C@@H]3C(=O)OC)CC#CC4=CC(=CC(=C4F)F)F

InChI

InChI=1S/C29H28F3N3O4/c1-38-23-6-8-26-20(14-23)12-21(16-33-26)27(34-37)7-5-18-9-11-35(17-24(18)29(36)39-2)10-3-4-19-13-22(30)15-25(31)28(19)32/h6,8,12-16,18,24,37H,5,7,9-11,17H2,1-2H3/b34-27-/t18-,24+/m1/s1