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

Systemtic Name: 2-cyclohexyl-2-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-thiophen-3-yl-pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-[[4-(3-phenylpropyl)-1-piperidyl]methyl]-4-(3-thienyl)pyrrolidin-1-yl]acetic acid CAS Name: 2-cyclohexyl-2-[3-[[4-(3-phenylpropyl)-1-piperidinyl]methyl]-4-(3-thiophenyl)-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-[[4-(3-phenylpropyl)piperidino]methyl]-4-(3-thienyl)pyrrolidino]acetic acid Formula: C31H44N2O2S MolecularWeight: 508.75826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CSC=C3)CN4CCC(CC4)CCCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CSC=C3)CN4CCC(CC4)CCCC5=CC=CC=C5

InChI

InChI=1S/C31H44N2O2S/c34-31(35)30(26-12-5-2-6-13-26)33-21-28(29(22-33)27-16-19-36-23-27)20-32-17-14-25(15-18-32)11-7-10-24-8-3-1-4-9-24/h1,3-4,8-9,16,19,23,25-26,28-30H,2,5-7,10-15,17-18,20-22H2,(H,34,35)