(E)-but-2-enedioic acid; N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine Openeye Name: fumaric acid; N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine CAS Name: (E)-2-butenedioic acid; N-methyl-3-phenyl-N-[(1-phenyl-2-pyrrolidinyl)methyl]-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine Traditional Name: fumaric acid; methyl-(3-phenylpropyl)-[(1-phenylpyrrolidin-2-yl)methyl]amine Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)CC2CCCN2C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCCC1=CC=CC=C1)CC2CCCN2C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H28N2.C4H4O4/c1-22(16-8-12-19-10-4-2-5-11-19)18-21-15-9-17-23(21)20-13-6-3-7-14-20;5-3(6)1-2-4(7)8/h2-7,10-11,13-14,21H,8-9,12,15-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+