3-cyclobutyl-2-[3-phenyl-4-[[4-(2-phenylsulfanylethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid

Systemtic Name: 3-cyclobutyl-2-[3-phenyl-4-[[4-(2-phenylsulfanylethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid Openeye Name: 3-cyclobutyl-2-[3-phenyl-4-[[4-(2-phenylsulfanylethyl)-1-piperidyl]methyl]pyrrolidin-1-yl]propanoic acid CAS Name: 3-cyclobutyl-2-[3-phenyl-4-[[4-[2-(phenylthio)ethyl]-1-piperidinyl]methyl]-1-pyrrolidinyl]propanoic acid IUPAC Name: 3-cyclobutyl-2-[3-phenyl-4-[[4-(2-phenylsulfanylethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid Traditional Name: 3-cyclobutyl-2-[3-phenyl-4-[[4-[2-(phenylthio)ethyl]piperidino]methyl]pyrrolidino]propionic acid Formula: C31H42N2O2S MolecularWeight: 506.74238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CC(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)CCSC5=CC=CC=C5

Isomeric SMILES

C1CC(C1)CC(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)CCSC5=CC=CC=C5

InChI

InChI=1S/C31H42N2O2S/c34-31(35)30(20-25-8-7-9-25)33-22-27(29(23-33)26-10-3-1-4-11-26)21-32-17-14-24(15-18-32)16-19-36-28-12-5-2-6-13-28/h1-6,10-13,24-25,27,29-30H,7-9,14-23H2,(H,34,35)