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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CN=C2)C3CCCN3C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CN=C2)C3CCCN3C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20N2.C4H4O4/c1-13-6-3-4-7-16(13)14-10-15(12-18-11-14)17-8-5-9-19(17)2;5-3(6)1-2-4(7)8/h3-4,6-7,10-12,17H,5,8-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+