N-[(1-butylpiperidin-3-yl)methyl]-1-[4-oxidanyl-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[(1-butylpiperidin-3-yl)methyl]-1-[4-oxidanyl-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[(1-butyl-3-piperidyl)methyl]-1-[4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide CAS Name: N-[(1-butyl-3-piperidinyl)methyl]-1-[[4-hydroxy-1-(1-oxo-3,3,3-triphenylpropyl)-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(1-butylpiperidin-3-yl)methyl]-1-[4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-butyl-3-piperidyl)methyl]-1-[4-hydroxy-1-(3,3,3-triphenylpropanoyl)prolyl]pyrrolidine-2-carboxamide Formula: C41H52N4O4 MolecularWeight: 664.87598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCC(C1)CNC(=O)C2CCCN2C(=O)C3CC(CN3C(=O)CC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

CCCCN1CCCC(C1)CNC(=O)C2CCCN2C(=O)C3CC(CN3C(=O)CC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C41H52N4O4/c1-2-3-23-43-24-13-15-31(29-43)28-42-39(48)36-22-14-25-44(36)40(49)37-26-35(46)30-45(37)38(47)27-41(32-16-7-4-8-17-32,33-18-9-5-10-19-33)34-20-11-6-12-21-34/h4-12,16-21,31,35-37,46H,2-3,13-15,22-30H2,1H3,(H,42,48)