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

Systemtic Name: N-[(1-octylpiperidin-3-yl)methyl]-1-[4-oxidanyl-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: 1-[4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]-N-[(1-octyl-3-piperidyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[[4-hydroxy-1-(1-oxo-3,3,3-triphenylpropyl)-2-pyrrolidinyl]-oxomethyl]-N-[(1-octyl-3-piperidinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]-N-[(1-octylpiperidin-3-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[4-hydroxy-1-(3,3,3-triphenylpropanoyl)prolyl]-N-[(1-octyl-3-piperidyl)methyl]pyrrolidine-2-carboxamide Formula: C45H60N4O4 MolecularWeight: 720.9823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCCC(C1)CNC(=O)C2CCCN2C(=O)C3CC(CN3C(=O)CC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

CCCCCCCCN1CCCC(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/C45H60N4O4/c1-2-3-4-5-6-16-27-47-28-17-19-35(33-47)32-46-43(52)40-26-18-29-48(40)44(53)41-30-39(50)34-49(41)42(51)31-45(36-20-10-7-11-21-36,37-22-12-8-13-23-37)38-24-14-9-15-25-38/h7-15,20-25,35,39-41,50H,2-6,16-19,26-34H2,1H3,(H,46,52)