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

Systemtic Name: (E)-but-2-enedioic acid; 1-(8-methoxybenzo[g]indol-1-yl)propan-2-amine Openeye Name: fumaric acid; 1-(8-methoxybenzo[g]indol-1-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(8-methoxy-1-benzo[g]indolyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(8-methoxybenzo[g]indol-1-yl)propan-2-amine Traditional Name: fumaric acid; [2-(8-methoxybenz[g]indol-1-yl)-1-methyl-ethyl]amine Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC2=C1C3=C(C=C2)C=CC(=C3)OC)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C=CC2=C1C3=C(C=C2)C=CC(=C3)OC)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H18N2O.C4H4O4/c1-11(17)10-18-8-7-13-4-3-12-5-6-14(19-2)9-15(12)16(13)18;5-3(6)1-2-4(7)8/h3-9,11H,10,17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+