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

Systemtic Name: (E)-but-2-enedioic acid; 3-methyl-N-propyl-N-pyridin-4-yl-indol-1-amine Openeye Name: fumaric acid; 3-methyl-N-propyl-N-(4-pyridyl)indol-1-amine CAS Name: (E)-2-butenedioic acid; 3-methyl-N-propyl-N-pyridin-4-yl-1-indolamine IUPAC Name: (E)-but-2-enedioic acid; 3-methyl-N-propyl-N-pyridin-4-ylindol-1-amine Traditional Name: fumaric acid; (3-methylindol-1-yl)-propyl-(4-pyridyl)amine Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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