(E)-but-2-enedioic acid; N-methyl-N-pyridin-4-yl-indol-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-N-pyridin-4-yl-indol-1-amine Openeye Name: fumaric acid; N-methyl-N-(4-pyridyl)indol-1-amine CAS Name: (E)-2-butenedioic acid; N-methyl-N-pyridin-4-yl-1-indolamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-N-pyridin-4-ylindol-1-amine Traditional Name: fumaric acid; indol-1-yl-methyl-(4-pyridyl)amine Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=NC=C1)N2C=CC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1=CC=NC=C1)N2C=CC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H13N3.C4H4O4/c1-16(13-6-9-15-10-7-13)17-11-8-12-4-2-3-5-14(12)17;5-3(6)1-2-4(7)8/h2-11H,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+