2-[4-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]-1-(3-thiophen-3-ylsulfanylpropyl)piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]-1-(3-thiophen-3-ylsulfanylpropyl)piperidin-3-yl]ethanoic acid Openeye Name: 2-[4-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-1-[3-(3-thienylsulfanyl)propyl]-3-piperidyl]acetic acid CAS Name: 2-[4-[3-hydroxy-3-(6-methoxy-4-quinolinyl)propyl]-1-[3-(3-thiophenylthio)propyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[4-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-(3-thiophen-3-ylsulfanylpropyl)piperidin-3-yl]acetic acid Traditional Name: 2-[4-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-1-[3-(3-thienylthio)propyl]-3-piperidyl]acetic acid Formula: C27H34N2O4S2 MolecularWeight: 514.69986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3CC(=O)O)CCCSC4=CSC=C4)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3CC(=O)O)CCCSC4=CSC=C4)O

InChI

InChI=1S/C27H34N2O4S2/c1-33-21-4-5-25-24(16-21)23(7-10-28-25)26(30)6-3-19-8-12-29(17-20(19)15-27(31)32)11-2-13-35-22-9-14-34-18-22/h4-5,7,9-10,14,16,18-20,26,30H,2-3,6,8,11-13,15,17H2,1H3,(H,31,32)