2-[4-[3-(6-methoxy-3-methyl-quinolin-4-yl)-3-oxidanyl-propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(6-methoxy-3-methyl-quinolin-4-yl)-3-oxidanyl-propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]ethanoic acid Openeye Name: 2-[4-[3-hydroxy-3-(6-methoxy-3-methyl-4-quinolyl)propyl]-1-[3-(2-thienyl)prop-2-ynyl]-4-piperidyl]acetic acid CAS Name: 2-[4-[3-hydroxy-3-(6-methoxy-3-methyl-4-quinolinyl)propyl]-1-(3-thiophen-2-ylprop-2-ynyl)-4-piperidinyl]acetic acid IUPAC Name: 2-[4-[3-hydroxy-3-(6-methoxy-3-methylquinolin-4-yl)propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]acetic acid Traditional Name: 2-[4-[3-hydroxy-3-(6-methoxy-3-methyl-4-quinolyl)propyl]-1-[3-(2-thienyl)prop-2-ynyl]-4-piperidyl]acetic acid Formula: C28H32N2O4S MolecularWeight: 492.62968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C=CC(=CC2=C1C(CCC3(CCN(CC3)CC#CC4=CC=CS4)CC(=O)O)O)OC

Isomeric SMILES

CC1=CN=C2C=CC(=CC2=C1C(CCC3(CCN(CC3)CC#CC4=CC=CS4)CC(=O)O)O)OC

InChI

InChI=1S/C28H32N2O4S/c1-20-19-29-24-8-7-21(34-2)17-23(24)27(20)25(31)9-10-28(18-26(32)33)11-14-30(15-12-28)13-3-5-22-6-4-16-35-22/h4,6-8,16-17,19,25,31H,9-15,18H2,1-2H3,(H,32,33)