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

Systemtic Name: [3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl] 2-[1-(3-thiophen-2-ylprop-2-ynyl)piperidin-3-yl]ethanoate Openeye Name: [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] 2-[1-[3-(2-thienyl)prop-2-ynyl]-3-piperidyl]acetate CAS Name: 2-[1-(3-thiophen-2-ylprop-2-ynyl)-3-piperidinyl]acetic acid [3-hydroxy-3-(6-methoxy-4-quinolinyl)propyl] ester IUPAC Name: [3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl] 2-[1-(3-thiophen-2-ylprop-2-ynyl)piperidin-3-yl]acetate Traditional Name: 2-[1-[3-(2-thienyl)prop-2-ynyl]-3-piperidyl]acetic acid [3-hydroxy-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)CC3CCCN(C3)CC#CC4=CC=CS4)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCOC(=O)CC3CCCN(C3)CC#CC4=CC=CS4)O

InChI

InChI=1S/C27H30N2O4S/c1-32-21-8-9-25-24(18-21)23(10-12-28-25)26(30)11-15-33-27(31)17-20-5-2-13-29(19-20)14-3-6-22-7-4-16-34-22/h4,7-10,12,16,18,20,26,30H,2,5,11,13-15,17,19H2,1H3