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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3.C4H4O4/c1-2-3-13-19(16-8-11-18-12-9-16)20-14-10-15-6-4-5-7-17(15)20;5-3(6)1-2-4(7)8/h4-12,14H,2-3,13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+