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

Systemtic Name: 2-cyclohexyl-2-[3-[[4-oxidanyl-4-(2-phenylethynyl)piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-[[4-hydroxy-4-(2-phenylethynyl)-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]acetic acid CAS Name: 2-cyclohexyl-2-[3-[[4-hydroxy-4-(2-phenylethynyl)-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-[[4-hydroxy-4-(2-phenylethynyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-[[4-hydroxy-4-(2-phenylethynyl)piperidino]methyl]-4-phenyl-pyrrolidino]acetic acid Formula: C32H40N2O3 MolecularWeight: 500.6716

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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)(C#CC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)(C#CC5=CC=CC=C5)O

InChI

InChI=1S/C32H40N2O3/c35-31(36)30(27-14-8-3-9-15-27)34-23-28(29(24-34)26-12-6-2-7-13-26)22-33-20-18-32(37,19-21-33)17-16-25-10-4-1-5-11-25/h1-2,4-7,10-13,27-30,37H,3,8-9,14-15,18-24H2,(H,35,36)