(E)-but-2-enedioic acid; 2-(8-methoxybenzo[g]indol-1-yl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(8-methoxybenzo[g]indol-1-yl)ethanamine Openeye Name: fumaric acid; 2-(8-methoxybenzo[g]indol-1-yl)ethanamine CAS Name: (E)-2-butenedioic acid; 2-(8-methoxy-1-benzo[g]indolyl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(8-methoxybenzo[g]indol-1-yl)ethanamine Traditional Name: fumaric acid; 2-(8-methoxybenz[g]indol-1-yl)ethylamine Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CC3=C2N(C=C3)CCN)C=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=CC3=C2N(C=C3)CCN)C=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H16N2O.C4H4O4/c1-18-13-5-4-11-2-3-12-6-8-17(9-7-16)15(12)14(11)10-13;5-3(6)1-2-4(7)8/h2-6,8,10H,7,9,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+