(E)-but-2-enedioic acid; N-(phenylmethyl)-1-(1-phenylpyrrolidin-2-yl)methanamine

Systemtic Name: (E)-but-2-enedioic acid; N-(phenylmethyl)-1-(1-phenylpyrrolidin-2-yl)methanamine Openeye Name: N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(phenylmethyl)-1-(1-phenyl-2-pyrrolidinyl)methanamine IUPAC Name: N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine; (E)-but-2-enedioic acid Traditional Name: benzyl-[(1-phenylpyrrolidin-2-yl)methyl]amine; fumaric acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC=CC=C2)CNCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C2=CC=CC=C2)CNCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H22N2.C4H4O4/c1-3-8-16(9-4-1)14-19-15-18-12-7-13-20(18)17-10-5-2-6-11-17;5-3(6)1-2-4(7)8/h1-6,8-11,18-19H,7,12-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+