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

Systemtic Name: (E)-but-2-enedioic acid; 3-ethyl-N-propyl-N-pyridin-4-yl-indol-1-amine Openeye Name: 3-ethyl-N-propyl-N-(4-pyridyl)indol-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-ethyl-N-propyl-N-pyridin-4-yl-1-indolamine IUPAC Name: (E)-but-2-enedioic acid; 3-ethyl-N-propyl-N-pyridin-4-ylindol-1-amine Traditional Name: (3-ethylindol-1-yl)-propyl-(4-pyridyl)amine; fumaric acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3.C4H4O4/c1-3-13-20(16-9-11-19-12-10-16)21-14-15(4-2)17-7-5-6-8-18(17)21;5-3(6)1-2-4(7)8/h5-12,14H,3-4,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+