(E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-2-yl)-5-(phenylmethyl)pyridine

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-2-yl)-5-(phenylmethyl)pyridine Openeye Name: 3-benzyl-5-(1-methylpyrrolidin-2-yl)pyridine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(1-methyl-2-pyrrolidinyl)-5-(phenylmethyl)pyridine IUPAC Name: 3-benzyl-5-(1-methylpyrrolidin-2-yl)pyridine; (E)-but-2-enedioic acid Traditional Name: 3-benzyl-5-(1-methylpyrrolidin-2-yl)pyridine; fumaric acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CC(=CN=C2)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCC1C2=CC(=CN=C2)CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20N2.C4H4O4/c1-19-9-5-8-17(19)16-11-15(12-18-13-16)10-14-6-3-2-4-7-14;5-3(6)1-2-4(7)8/h2-4,6-7,11-13,17H,5,8-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+