2-[[2-(2-methylphenyl)-4-[(3-phenylmethoxypiperidin-1-yl)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(3-phenylmethoxypiperidin-1-yl)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(3-benzyloxy-1-piperidyl)methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(3-phenylmethoxy-1-piperidinyl)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(3-phenylmethoxypiperidin-1-yl)methyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(3-benzoxypiperidino)methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C32H38N2O4S MolecularWeight: 546.72012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3CCCC(C3)OCC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3CCCC(C3)OCC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C32H38N2O4S/c1-23-9-6-7-13-27(23)29-19-25(14-15-28(29)31(35)33-30(32(36)37)16-18-39-2)20-34-17-8-12-26(21-34)38-22-24-10-4-3-5-11-24/h3-7,9-11,13-15,19,26,30H,8,12,16-18,20-22H2,1-2H3,(H,33,35)(H,36,37)