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

Systemtic Name: [1-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 1-(3-thiophen-2-ylprop-2-ynyl)piperidine-3-carboxylate Openeye Name: [3-hydroxy-1-(6-methoxy-4-quinolyl)propyl] 1-[3-(2-thienyl)prop-2-ynyl]piperidine-3-carboxylate CAS Name: 1-(3-thiophen-2-ylprop-2-ynyl)-3-piperidinecarboxylic acid [3-hydroxy-1-(6-methoxy-4-quinolinyl)propyl] ester IUPAC Name: [3-hydroxy-1-(6-methoxyquinolin-4-yl)propyl] 1-(3-thiophen-2-ylprop-2-ynyl)piperidine-3-carboxylate Traditional Name: 1-[3-(2-thienyl)prop-2-ynyl]nipecotic acid [3-hydroxy-1-(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(CCO)OC(=O)C3CCCN(C3)CC#CC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCO)OC(=O)C3CCCN(C3)CC#CC4=CC=CS4

InChI

InChI=1S/C26H28N2O4S/c1-31-20-8-9-24-23(17-20)22(10-12-27-24)25(11-15-29)32-26(30)19-5-2-13-28(18-19)14-3-6-21-7-4-16-33-21/h4,7-10,12,16-17,19,25,29H,2,5,11,13-15,18H2,1H3