(E)-but-2-enedioic acid; N-(2-methoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-(2-methoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Openeye Name: fumaric acid; N-(2-methoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide CAS Name: (E)-2-butenedioic acid; N-(2-methoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-methoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Traditional Name: fumaric acid; N-(2-methoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1OC)C(=O)C2CCC3=C(C2)NC=N3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1OC)C(=O)C2CCC3=C(C2)NC=N3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19N3O2.C4H4O4/c1-19(14-5-3-4-6-15(14)21-2)16(20)11-7-8-12-13(9-11)18-10-17-12;5-3(6)1-2-4(7)8/h3-6,10-11H,7-9H2,1-2H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+