(E)-but-2-enedioic acid; 2-(5-methoxy-1H-indol-3-yl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(5-methoxy-1H-indol-3-yl)ethanamine Openeye Name: fumaric acid; 2-(5-methoxy-1H-indol-3-yl)ethanamine CAS Name: (E)-2-butenedioic acid; 2-(5-methoxy-1H-indol-3-yl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(5-methoxy-1H-indol-3-yl)ethanamine Traditional Name: fumaric acid; 2-(5-methoxy-1H-indol-3-yl)ethylamine Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCN.C(=C/C(=O)O)\C(=O)O

InChI

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