(E)-but-2-enedioic acid; N,N-dimethyl-4-(pyridin-4-ylmethyl)aniline

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-4-(pyridin-4-ylmethyl)aniline Openeye Name: N,N-dimethyl-4-(4-pyridylmethyl)aniline; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-4-(pyridin-4-ylmethyl)aniline IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-4-(pyridin-4-ylmethyl)aniline Traditional Name: dimethyl-[4-(4-pyridylmethyl)phenyl]amine; fumaric acid Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC2=CC=NC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC2=CC=NC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H16N2.C4H4O4/c1-16(2)14-5-3-12(4-6-14)11-13-7-9-15-10-8-13;5-3(6)1-2-4(7)8/h3-10H,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+