2-[3-[3-(6-methoxyquinolin-4-yl)propyl]-4-oxidanylidene-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[3-[3-(6-methoxyquinolin-4-yl)propyl]-4-oxidanylidene-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-3-yl]ethanoic acid Openeye Name: 2-[3-[3-(6-methoxy-4-quinolyl)propyl]-4-oxo-1-[3-(2-thienyl)prop-2-ynyl]-3-piperidyl]acetic acid CAS Name: 2-[3-[3-(6-methoxy-4-quinolinyl)propyl]-4-oxo-1-(3-thiophen-2-ylprop-2-ynyl)-3-piperidinyl]acetic acid IUPAC Name: 2-[3-[3-(6-methoxyquinolin-4-yl)propyl]-4-oxo-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-3-yl]acetic acid Traditional Name: 2-[4-keto-3-[3-(6-methoxy-4-quinolyl)propyl]-1-[3-(2-thienyl)prop-2-ynyl]-3-piperidyl]acetic acid Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCCC3(CN(CCC3=O)CC#CC4=CC=CS4)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCCC3(CN(CCC3=O)CC#CC4=CC=CS4)CC(=O)O

InChI

InChI=1S/C27H28N2O4S/c1-33-21-8-9-24-23(17-21)20(10-13-28-24)5-2-12-27(18-26(31)32)19-29(15-11-25(27)30)14-3-6-22-7-4-16-34-22/h4,7-10,13,16-17H,2,5,11-12,14-15,18-19H2,1H3,(H,31,32)