[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-[3-[2,5-bis(fluoranyl)phenyl]prop-2-ynyl]piperidine-3-carboxylate

Systemtic Name: [3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-[3-[2,5-bis(fluoranyl)phenyl]prop-2-ynyl]piperidine-3-carboxylate Openeye Name: [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] 1-[3-(2,5-difluorophenyl)prop-2-ynyl]piperidine-3-carboxylate CAS Name: 1-[3-(2,5-difluorophenyl)prop-2-ynyl]-3-piperidinecarboxylic acid [3-hydroxy-3-(6-methoxy-4-quinolinyl)propyl] ester IUPAC Name: [3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl] 1-[3-(2,5-difluorophenyl)prop-2-ynyl]piperidine-3-carboxylate Traditional Name: 1-[3-(2,5-difluorophenyl)prop-2-ynyl]nipecotic acid [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C28H28F2N2O4 MolecularWeight: 494.529726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)C3CCCN(C3)CC#CC4=C(C=CC(=C4)F)F)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)C3CCCN(C3)CC#CC4=C(C=CC(=C4)F)F)O

InChI

InChI=1S/C28H28F2N2O4/c1-35-22-7-9-26-24(17-22)23(10-12-31-26)27(33)11-15-36-28(34)20-5-3-14-32(18-20)13-2-4-19-16-21(29)6-8-25(19)30/h6-10,12,16-17,20,27,33H,3,5,11,13-15,18H2,1H3