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

Systemtic Name: 2-[4-[3-(6-methoxyquinolin-4-yl)-3-oxidanylidene-propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-3-yl]ethanoic acid Openeye Name: 2-[4-[3-(6-methoxy-4-quinolyl)-3-oxo-propyl]-1-[3-(2-thienyl)prop-2-ynyl]-3-piperidyl]acetic acid CAS Name: 2-[4-[3-(6-methoxy-4-quinolinyl)-3-oxopropyl]-1-(3-thiophen-2-ylprop-2-ynyl)-3-piperidinyl]acetic acid IUPAC Name: 2-[4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-3-yl]acetic acid Traditional Name: 2-[4-[3-keto-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)C(=O)CCC3CCN(CC3CC(=O)O)CC#CC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCC3CCN(CC3CC(=O)O)CC#CC4=CC=CS4

InChI

InChI=1S/C27H28N2O4S/c1-33-21-7-8-25-24(17-21)23(10-12-28-25)26(30)9-6-19-11-14-29(18-20(19)16-27(31)32)13-2-4-22-5-3-15-34-22/h3,5,7-8,10,12,15,17,19-20H,6,9,11,13-14,16,18H2,1H3,(H,31,32)