2-[3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-ethanoic acid

Systemtic Name: 2-[3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-ethanoic acid Openeye Name: 2-[3-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-2-cyclohexyl-acetic acid CAS Name: 2-[3-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]-2-cyclohexylacetic acid IUPAC Name: 2-[3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid Traditional Name: 2-[3-[[4-(1,3-benzothiazol-2-yl)piperidino]methyl]-4-phenyl-pyrrolidino]-2-cyclohexyl-acetic acid Formula: C31H39N3O2S MolecularWeight: 517.72526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C31H39N3O2S/c35-31(36)29(23-11-5-2-6-12-23)34-20-25(26(21-34)22-9-3-1-4-10-22)19-33-17-15-24(16-18-33)30-32-27-13-7-8-14-28(27)37-30/h1,3-4,7-10,13-14,23-26,29H,2,5-6,11-12,15-21H2,(H,35,36)