(E)-but-2-enedioic acid; 3-[2-(methylamino)ethyl]-1H-indol-5-ol

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-(methylamino)ethyl]-1H-indol-5-ol Openeye Name: fumaric acid; 3-[2-(methylamino)ethyl]-1H-indol-5-ol CAS Name: (E)-2-butenedioic acid; 3-[2-(methylamino)ethyl]-1H-indol-5-ol IUPAC Name: (E)-but-2-enedioic acid; 3-[2-(methylamino)ethyl]-1H-indol-5-ol Traditional Name: fumaric acid; 3-[2-(methylamino)ethyl]-1H-indol-5-ol Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CNC2=C1C=C(C=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCCC1=CNC2=C1C=C(C=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H14N2O.C4H4O4/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11;5-3(6)1-2-4(7)8/h2-3,6-7,12-14H,4-5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+