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

Systemtic Name: 3-cyclobutyl-2-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-thiophen-3-yl-pyrrolidin-1-yl]propanoic acid Openeye Name: 3-cyclobutyl-2-[3-[[4-(3-phenylpropyl)-1-piperidyl]methyl]-4-(3-thienyl)pyrrolidin-1-yl]propanoic acid CAS Name: 3-cyclobutyl-2-[3-[[4-(3-phenylpropyl)-1-piperidinyl]methyl]-4-(3-thiophenyl)-1-pyrrolidinyl]propanoic acid IUPAC Name: 3-cyclobutyl-2-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]propanoic acid Traditional Name: 3-cyclobutyl-2-[3-[[4-(3-phenylpropyl)piperidino]methyl]-4-(3-thienyl)pyrrolidino]propionic acid Formula: C30H42N2O2S MolecularWeight: 494.73168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CC(C(=O)O)N2CC(C(C2)C3=CSC=C3)CN4CCC(CC4)CCCC5=CC=CC=C5

Isomeric SMILES

C1CC(C1)CC(C(=O)O)N2CC(C(C2)C3=CSC=C3)CN4CCC(CC4)CCCC5=CC=CC=C5

InChI

InChI=1S/C30H42N2O2S/c33-30(34)29(18-25-10-5-11-25)32-20-27(28(21-32)26-14-17-35-22-26)19-31-15-12-24(13-16-31)9-4-8-23-6-2-1-3-7-23/h1-3,6-7,14,17,22,24-25,27-29H,4-5,8-13,15-16,18-21H2,(H,33,34)