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

Systemtic Name: (E)-but-2-enedioic acid; 3,3-diphenyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]propan-1-amine Openeye Name: fumaric acid; N-[1-methyl-2-[4-(3-pyridylmethoxy)phenyl]ethyl]-3,3-diphenyl-propan-1-amine CAS Name: (E)-2-butenedioic acid; 3,3-diphenyl-N-[1-[4-(3-pyridinylmethoxy)phenyl]propan-2-yl]-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3,3-diphenyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]propan-1-amine Traditional Name: 3,3-diphenylpropyl-[1-methyl-2-[4-(3-pyridylmethoxy)phenyl]ethyl]amine; fumaric acid Formula: C34H36N2O5 MolecularWeight: 552.66004

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCC2=CN=CC=C2)NCCC(C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCC2=CN=CC=C2)NCCC(C3=CC=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C30H32N2O.C4H4O4/c1-24(21-25-14-16-29(17-15-25)33-23-26-9-8-19-31-22-26)32-20-18-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28;5-3(6)1-2-4(7)8/h2-17,19,22,24,30,32H,18,20-21,23H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+