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

Systemtic Name: 2-[3-[[4-oxidanyl-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]propanoic acid Openeye Name: 2-[3-[[4-hydroxy-4-(3-phenylpropyl)-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]propanoic acid CAS Name: 2-[3-[[4-hydroxy-4-(3-phenylpropyl)-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]propanoic acid IUPAC Name: 2-[3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid Traditional Name: 2-[3-[[4-hydroxy-4-(3-phenylpropyl)piperidino]methyl]-4-phenyl-pyrrolidino]propionic acid Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CC(C(C1)C2=CC=CC=C2)CN3CCC(CC3)(CCCC4=CC=CC=C4)O

Isomeric SMILES

CC(C(=O)O)N1CC(C(C1)C2=CC=CC=C2)CN3CCC(CC3)(CCCC4=CC=CC=C4)O

InChI

InChI=1S/C28H38N2O3/c1-22(27(31)32)30-20-25(26(21-30)24-12-6-3-7-13-24)19-29-17-15-28(33,16-18-29)14-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,22,25-26,33H,8,11,14-21H2,1H3,(H,31,32)