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

Systemtic Name: (E)-but-2-enedioic acid; N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Openeye Name: fumaric acid; N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide CAS Name: (E)-2-butenedioic acid; N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide IUPAC Name: (E)-but-2-enedioic acid; N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Traditional Name: fumaric acid; N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide Formula: C24H23N3O6 MolecularWeight: 449.45592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)NC3=CC=CC=C3OC4=CC=CC=C4)NC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(CC1C(=O)NC3=CC=CC=C3OC4=CC=CC=C4)NC=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H19N3O2.C4H4O4/c24-20(14-10-11-16-18(12-14)22-13-21-16)23-17-8-4-5-9-19(17)25-15-6-2-1-3-7-15;5-3(6)1-2-4(7)8/h1-9,13-14H,10-12H2,(H,21,22)(H,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1+