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

Systemtic Name: 2-[1-(3-ethylsulfanylpropyl)-4-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]piperidin-3-yl]ethanoic acid Openeye Name: 2-[1-(3-ethylsulfanylpropyl)-4-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetic acid CAS Name: 2-[1-[3-(ethylthio)propyl]-4-[3-hydroxy-3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[1-(3-ethylsulfanylpropyl)-4-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid Traditional Name: 2-[1-[3-(ethylthio)propyl]-4-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetic acid Formula: C25H36N2O4S MolecularWeight: 460.62934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCCN1CCC(C(C1)CC(=O)O)CCC(C2=C3C=C(C=CC3=NC=C2)OC)O

Isomeric SMILES

CCSCCCN1CCC(C(C1)CC(=O)O)CCC(C2=C3C=C(C=CC3=NC=C2)OC)O

InChI

InChI=1S/C25H36N2O4S/c1-3-32-14-4-12-27-13-10-18(19(17-27)15-25(29)30)5-8-24(28)21-9-11-26-23-7-6-20(31-2)16-22(21)23/h6-7,9,11,16,18-19,24,28H,3-5,8,10,12-15,17H2,1-2H3,(H,29,30)