[1-[(4-ethoxycarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(4-ethoxycarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: [2-(4-ethoxycarbonylanilino)-1-methyl-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-(4-carbethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C20H19N3O5/c1-3-27-19(25)13-4-7-15(8-5-13)23-18(24)12(2)28-20(26)14-6-9-16-17(10-14)22-11-21-16/h4-12H,3H2,1-2H3,(H,21,22)(H,23,24)