(E)-but-2-enedioic acid; N-propyl-1H-indol-3-amine

Systemtic Name: (E)-but-2-enedioic acid; N-propyl-1H-indol-3-amine Openeye Name: fumaric acid; N-propyl-1H-indol-3-amine CAS Name: (E)-2-butenedioic acid; N-propyl-1H-indol-3-amine IUPAC Name: (E)-but-2-enedioic acid; N-propyl-1H-indol-3-amine Traditional Name: fumaric acid; 1H-indol-3-yl(propyl)amine Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CNC2=CC=CC=C21.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCNC1=CNC2=CC=CC=C21.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H14N2.C4H4O4/c1-2-7-12-11-8-13-10-6-4-3-5-9(10)11;5-3(6)1-2-4(7)8/h3-6,8,12-13H,2,7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+