(E)-but-2-enedioic acid; N-(1H-imidazol-5-ylmethyl)-1-methyl-indole-3-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-(1H-imidazol-5-ylmethyl)-1-methyl-indole-3-carboxamide Openeye Name: fumaric acid; N-(1H-imidazol-5-ylmethyl)-1-methyl-indole-3-carboxamide CAS Name: (E)-2-butenedioic acid; N-(1H-imidazol-5-ylmethyl)-1-methyl-3-indolecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide Traditional Name: fumaric acid; N-(1H-imidazol-5-ylmethyl)-1-methyl-indole-3-carboxamide Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)NCC3=CN=CN3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)NCC3=CN=CN3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H14N4O.C4H4O4/c1-18-8-12(11-4-2-3-5-13(11)18)14(19)16-7-10-6-15-9-17-10;5-3(6)1-2-4(7)8/h2-6,8-9H,7H2,1H3,(H,15,17)(H,16,19);1-2H,(H,5,6)(H,7,8)/b;2-1+