(E)-but-2-enedioic acid; 1-methyl-N-propyl-N-pyridin-4-yl-indol-5-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-N-propyl-N-pyridin-4-yl-indol-5-amine Openeye Name: fumaric acid; 1-methyl-N-propyl-N-(4-pyridyl)indol-5-amine CAS Name: (E)-2-butenedioic acid; 1-methyl-N-propyl-N-pyridin-4-yl-5-indolamine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-N-propyl-N-pyridin-4-ylindol-5-amine Traditional Name: fumaric acid; (1-methylindol-5-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)C2=CC3=C(C=C2)N(C=C3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN(C1=CC=NC=C1)C2=CC3=C(C=C2)N(C=C3)C.C(=C/C(=O)O)\C(=O)O

InChI

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