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

Systemtic Name: (E)-but-2-enedioic acid; N-prop-2-ynyl-N-pyridin-4-yl-indol-1-amine Openeye Name: fumaric acid; N-prop-2-ynyl-N-(4-pyridyl)indol-1-amine CAS Name: (E)-2-butenedioic acid; N-prop-2-ynyl-N-pyridin-4-yl-1-indolamine IUPAC Name: (E)-but-2-enedioic acid; N-prop-2-ynyl-N-pyridin-4-ylindol-1-amine Traditional Name: fumaric acid; indol-1-yl-propargyl-(4-pyridyl)amine Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3.C4H4O4/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19;5-3(6)1-2-4(7)8/h1,3-11,13H,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+