[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-(3-thiophen-3-ylprop-2-ynyl)piperidine-3-carboxylate

Systemtic Name: [3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-(3-thiophen-3-ylprop-2-ynyl)piperidine-3-carboxylate Openeye Name: [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] 1-[3-(3-thienyl)prop-2-ynyl]piperidine-3-carboxylate CAS Name: 1-[3-(3-thiophenyl)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-thiophen-3-ylprop-2-ynyl)piperidine-3-carboxylate Traditional Name: 1-[3-(3-thienyl)prop-2-ynyl]nipecotic acid [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O4S/c1-31-21-6-7-24-23(16-21)22(8-11-27-24)25(29)9-14-32-26(30)20-5-3-13-28(17-20)12-2-4-19-10-15-33-18-19/h6-8,10-11,15-16,18,20,25,29H,3,5,9,12-14,17H2,1H3