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

Systemtic Name: [1-(6-methoxyquinolin-4-yl)-3-oxidanylidene-propyl] 1-[3-(3-fluorophenyl)prop-2-ynyl]piperidine-3-carboxylate Openeye Name: [1-(6-methoxy-4-quinolyl)-3-oxo-propyl] 1-[3-(3-fluorophenyl)prop-2-ynyl]piperidine-3-carboxylate CAS Name: 1-[3-(3-fluorophenyl)prop-2-ynyl]-3-piperidinecarboxylic acid [1-(6-methoxy-4-quinolinyl)-3-oxopropyl] ester IUPAC Name: [1-(6-methoxyquinolin-4-yl)-3-oxopropyl] 1-[3-(3-fluorophenyl)prop-2-ynyl]piperidine-3-carboxylate Traditional Name: 1-[3-(3-fluorophenyl)prop-2-ynyl]nipecotic acid [3-keto-1-(6-methoxy-4-quinolyl)propyl] ester Formula: C28H27FN2O4 MolecularWeight: 474.523383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27FN2O4/c1-34-23-9-10-26-25(18-23)24(11-13-30-26)27(12-16-32)35-28(33)21-7-4-15-31(19-21)14-3-6-20-5-2-8-22(29)17-20/h2,5,8-11,13,16-18,21,27H,4,7,12,14-15,19H2,1H3