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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CN=C2)C3CCCN3C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CN=C2)C3CCCN3C.C(=C/C(=O)O)\C(=O)O

InChI

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