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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCC3CCN(CC3CC(=O)O)CC#CC4=CSC=C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCC3CCN(CC3CC(=O)O)CC#CC4=CSC=C4

InChI

InChI=1S/C27H28N2O4S/c1-33-22-5-6-25-24(16-22)23(8-11-28-25)26(30)7-4-20-9-13-29(17-21(20)15-27(31)32)12-2-3-19-10-14-34-18-19/h5-6,8,10-11,14,16,18,20-21H,4,7,9,12-13,15,17H2,1H3,(H,31,32)