(E)-but-2-enedioic acid; 1-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridine

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridine Openeye Name: fumaric acid; 1-methyl-4-(p-tolyl)-3,6-dihydro-2H-pyridine CAS Name: (E)-2-butenedioic acid; 1-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridine Traditional Name: fumaric acid; 1-methyl-4-(p-tolyl)-3,6-dihydro-2H-pyridine Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CCN(CC2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CCN(CC2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H17N.C4H4O4/c1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13;5-3(6)1-2-4(7)8/h3-7H,8-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+