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

Systemtic Name: (E)-but-2-enedioic acid; N-(2-methylpropyl)-N-pyridin-4-yl-indol-1-amine Openeye Name: fumaric acid; N-isobutyl-N-(4-pyridyl)indol-1-amine CAS Name: (E)-2-butenedioic acid; N-(2-methylpropyl)-N-pyridin-4-yl-1-indolamine IUPAC Name: (E)-but-2-enedioic acid; N-(2-methylpropyl)-N-pyridin-4-ylindol-1-amine Traditional Name: fumaric acid; indol-1-yl-isobutyl-(4-pyridyl)amine Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3.C4H4O4/c1-14(2)13-20(16-7-10-18-11-8-16)19-12-9-15-5-3-4-6-17(15)19;5-3(6)1-2-4(7)8/h3-12,14H,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+