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

Systemtic Name: 3-(6-methoxyquinolin-4-yl)propyl 1-[3-(2-fluorophenyl)prop-2-ynyl]piperidine-3-carboxylate Openeye Name: 3-(6-methoxy-4-quinolyl)propyl 1-[3-(2-fluorophenyl)prop-2-ynyl]piperidine-3-carboxylate CAS Name: 1-[3-(2-fluorophenyl)prop-2-ynyl]-3-piperidinecarboxylic acid 3-(6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(6-methoxyquinolin-4-yl)propyl 1-[3-(2-fluorophenyl)prop-2-ynyl]piperidine-3-carboxylate Traditional Name: 1-[3-(2-fluorophenyl)prop-2-ynyl]nipecotic acid 3-(6-methoxy-4-quinolyl)propyl ester Formula: C28H29FN2O3 MolecularWeight: 460.539863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCCOC(=O)C3CCCN(C3)CC#CC4=CC=CC=C4F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCCOC(=O)C3CCCN(C3)CC#CC4=CC=CC=C4F

InChI

InChI=1S/C28H29FN2O3/c1-33-24-12-13-27-25(19-24)21(14-15-30-27)10-6-18-34-28(32)23-9-5-17-31(20-23)16-4-8-22-7-2-3-11-26(22)29/h2-3,7,11-15,19,23H,5-6,9-10,16-18,20H2,1H3