(E)-but-2-enedioic acid; N-(3,3-diphenylpropyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-(3,3-diphenylpropyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-amine Openeye Name: N-(3,3-diphenylpropyl)-1-[4-(2-pyridylmethoxy)phenyl]butan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(3,3-diphenylpropyl)-1-[4-(2-pyridinylmethoxy)phenyl]-2-butanamine IUPAC Name: (E)-but-2-enedioic acid; N-(3,3-diphenylpropyl)-1-[4-(pyridin-2-ylmethoxy)phenyl]butan-2-amine Traditional Name: 3,3-diphenylpropyl-[1-[4-(2-pyridylmethoxy)benzyl]propyl]amine; fumaric acid Formula: C35H38N2O5 MolecularWeight: 566.68662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)OCC2=CC=CC=N2)NCCC(C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(CC1=CC=C(C=C1)OCC2=CC=CC=N2)NCCC(C3=CC=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C31H34N2O.C4H4O4/c1-2-28(23-25-16-18-30(19-17-25)34-24-29-15-9-10-21-32-29)33-22-20-31(26-11-5-3-6-12-26)27-13-7-4-8-14-27;5-3(6)1-2-4(7)8/h3-19,21,28,31,33H,2,20,22-24H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+