(E)-but-2-enedioic acid; 1H-imidazol-5-ylmethyl 1-methylindole-3-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; 1H-imidazol-5-ylmethyl 1-methylindole-3-carboxylate Openeye Name: fumaric acid; 1H-imidazol-5-ylmethyl 1-methylindole-3-carboxylate CAS Name: (E)-2-butenedioic acid; 1-methyl-3-indolecarboxylic acid 1H-imidazol-5-ylmethyl ester IUPAC Name: (E)-but-2-enedioic acid; 1H-imidazol-5-ylmethyl 1-methylindole-3-carboxylate Traditional Name: fumaric acid; 1-methylindole-3-carboxylic acid 1H-imidazol-5-ylmethyl ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)OCC3=CN=CN3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC3=CN=CN3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H13N3O2.C4H4O4/c1-17-7-12(11-4-2-3-5-13(11)17)14(18)19-8-10-6-15-9-16-10;5-3(6)1-2-4(7)8/h2-7,9H,8H2,1H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+