2-[4-phenyl-3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]-3-thiophen-2-yl-pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-phenyl-3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]-3-thiophen-2-yl-pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-[4-phenyl-3-[[4-(3-phenylpropyl)-1-piperidyl]methyl]-3-(2-thienyl)pyrrolidin-1-yl]acetic acid CAS Name: 2-[4-phenyl-3-[[4-(3-phenylpropyl)-1-piperidinyl]methyl]-3-thiophen-2-yl-1-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-phenyl-3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]-3-thiophen-2-ylpyrrolidin-1-yl]acetic acid Traditional Name: 2-[4-phenyl-3-[[4-(3-phenylpropyl)piperidino]methyl]-3-(2-thienyl)pyrrolidino]acetic acid Formula: C31H38N2O2S MolecularWeight: 502.71062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCC2=CC=CC=C2)CC3(CN(CC3C4=CC=CC=C4)CC(=O)O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1CCCC2=CC=CC=C2)CC3(CN(CC3C4=CC=CC=C4)CC(=O)O)C5=CC=CS5

InChI

InChI=1S/C31H38N2O2S/c34-30(35)22-33-21-28(27-13-5-2-6-14-27)31(24-33,29-15-8-20-36-29)23-32-18-16-26(17-19-32)12-7-11-25-9-3-1-4-10-25/h1-6,8-10,13-15,20,26,28H,7,11-12,16-19,21-24H2,(H,34,35)