(E)-but-2-enedioic acid; 3-ethenyl-N-methyl-N-pyridin-4-yl-indol-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-ethenyl-N-methyl-N-pyridin-4-yl-indol-1-amine Openeye Name: fumaric acid; N-methyl-N-(4-pyridyl)-3-vinyl-indol-1-amine CAS Name: (E)-2-butenedioic acid; 3-ethenyl-N-methyl-N-pyridin-4-yl-1-indolamine IUPAC Name: (E)-but-2-enedioic acid; 3-ethenyl-N-methyl-N-pyridin-4-ylindol-1-amine Traditional Name: fumaric acid; methyl-(4-pyridyl)-(3-vinylindol-1-yl)amine Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=NC=C1)N2C=C(C3=CC=CC=C32)C=C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1=CC=NC=C1)N2C=C(C3=CC=CC=C32)C=C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H15N3.C4H4O4/c1-3-13-12-19(16-7-5-4-6-15(13)16)18(2)14-8-10-17-11-9-14;5-3(6)1-2-4(7)8/h3-12H,1H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+