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

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-methoxyphenyl)-5-(1-methylpyrrolidin-2-yl)pyridine Openeye Name: fumaric acid; 3-(2-methoxyphenyl)-5-(1-methylpyrrolidin-2-yl)pyridine CAS Name: (E)-2-butenedioic acid; 3-(2-methoxyphenyl)-5-(1-methyl-2-pyrrolidinyl)pyridine IUPAC Name: (E)-but-2-enedioic acid; 3-(2-methoxyphenyl)-5-(1-methylpyrrolidin-2-yl)pyridine Traditional Name: fumaric acid; 3-(2-methoxyphenyl)-5-(1-methylpyrrolidin-2-yl)pyridine Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=CC(=C2)C3=CC=CC=C3OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCC1C2=CN=CC(=C2)C3=CC=CC=C3OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20N2O.C4H4O4/c1-19-9-5-7-16(19)14-10-13(11-18-12-14)15-6-3-4-8-17(15)20-2;5-3(6)1-2-4(7)8/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+