(E)-but-2-enedioic acid; methyl N-[4-(benzimidazol-1-ylcarbonyl)-4-methyl-cyclohexyl]carbamate

Systemtic Name: (E)-but-2-enedioic acid; methyl N-[4-(benzimidazol-1-ylcarbonyl)-4-methyl-cyclohexyl]carbamate Openeye Name: fumaric acid; methyl N-[4-(benzimidazole-1-carbonyl)-4-methyl-cyclohexyl]carbamate CAS Name: N-[4-[1-benzimidazolyl(oxo)methyl]-4-methylcyclohexyl]carbamic acid methyl ester; (E)-2-butenedioic acid IUPAC Name: (E)-but-2-enedioic acid; methyl N-[4-(benzimidazole-1-carbonyl)-4-methylcyclohexyl]carbamate Traditional Name: N-[4-(benzimidazole-1-carbonyl)-4-methyl-cyclohexyl]carbamic acid methyl ester; fumaric acid Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)NC(=O)OC)C(=O)N2C=NC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(CCC(CC1)NC(=O)OC)C(=O)N2C=NC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H21N3O3.C4H4O4/c1-17(9-7-12(8-10-17)19-16(22)23-2)15(21)20-11-18-13-5-3-4-6-14(13)20;5-3(6)1-2-4(7)8/h3-6,11-12H,7-10H2,1-2H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/b;2-1+