[2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)N(C4CCCCC4)C5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)N(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C29H35N3O4/c1-35-24-15-12-20(13-16-24)28-30-25-17-14-21(18-26(25)31-28)29(34)36-19-27(33)32(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h12-18,22-23H,2-11,19H2,1H3,(H,30,31)