3-[4-[3-(6-methoxyquinolin-4-yl)propyl]-1-(3-pyridin-3-ylsulfanylpropyl)piperidin-3-yl]propanoic acid

Systemtic Name: 3-[4-[3-(6-methoxyquinolin-4-yl)propyl]-1-(3-pyridin-3-ylsulfanylpropyl)piperidin-3-yl]propanoic acid Openeye Name: 3-[4-[3-(6-methoxy-4-quinolyl)propyl]-1-[3-(3-pyridylsulfanyl)propyl]-3-piperidyl]propanoic acid CAS Name: 3-[4-[3-(6-methoxy-4-quinolinyl)propyl]-1-[3-(3-pyridinylthio)propyl]-3-piperidinyl]propanoic acid IUPAC Name: 3-[4-[3-(6-methoxyquinolin-4-yl)propyl]-1-(3-pyridin-3-ylsulfanylpropyl)piperidin-3-yl]propanoic acid Traditional Name: 3-[4-[3-(6-methoxy-4-quinolyl)propyl]-1-[3-(3-pyridylthio)propyl]-3-piperidyl]propionic acid Formula: C29H37N3O3S MolecularWeight: 507.68738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCCC3CCN(CC3CCC(=O)O)CCCSC4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCCC3CCN(CC3CCC(=O)O)CCCSC4=CN=CC=C4

InChI

InChI=1S/C29H37N3O3S/c1-35-25-9-10-28-27(19-25)23(12-15-31-28)6-2-5-22-13-17-32(21-24(22)8-11-29(33)34)16-4-18-36-26-7-3-14-30-20-26/h3,7,9-10,12,14-15,19-20,22,24H,2,4-6,8,11,13,16-18,21H2,1H3,(H,33,34)