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

Systemtic Name: (E)-but-2-enedioic acid; N-(2-butoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Openeye Name: N-(2-butoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(2-butoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-butoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Traditional Name: N-(2-butoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide; fumaric acid Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1NC(=O)C2CCC3=C(C2)NC=N3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC=C1NC(=O)C2CCC3=C(C2)NC=N3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H23N3O2.C4H4O4/c1-2-3-10-23-17-7-5-4-6-15(17)21-18(22)13-8-9-14-16(11-13)20-12-19-14;5-3(6)1-2-4(7)8/h4-7,12-13H,2-3,8-11H2,1H3,(H,19,20)(H,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+