3-[4-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]-1-(2-propylsulfanylethyl)piperidin-3-yl]propanoic acid

Systemtic Name: 3-[4-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]-1-(2-propylsulfanylethyl)piperidin-3-yl]propanoic acid Openeye Name: 3-[4-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-1-(2-propylsulfanylethyl)-3-piperidyl]propanoic acid CAS Name: 3-[4-[3-hydroxy-3-(6-methoxy-4-quinolinyl)propyl]-1-[2-(propylthio)ethyl]-3-piperidinyl]propanoic acid IUPAC Name: 3-[4-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-(2-propylsulfanylethyl)piperidin-3-yl]propanoic acid Traditional Name: 3-[4-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-1-[2-(propylthio)ethyl]-3-piperidyl]propionic acid Formula: C26H38N2O4S MolecularWeight: 474.65592

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCN1CCC(C(C1)CCC(=O)O)CCC(C2=C3C=C(C=CC3=NC=C2)OC)O

Isomeric SMILES

CCCSCCN1CCC(C(C1)CCC(=O)O)CCC(C2=C3C=C(C=CC3=NC=C2)OC)O

InChI

InChI=1S/C26H38N2O4S/c1-3-15-33-16-14-28-13-11-19(20(18-28)5-9-26(30)31)4-8-25(29)22-10-12-27-24-7-6-21(32-2)17-23(22)24/h6-7,10,12,17,19-20,25,29H,3-5,8-9,11,13-16,18H2,1-2H3,(H,30,31)