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

Systemtic Name: [1-[(4-ethoxycarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(4-ethoxycarbonylanilino)-1-methyl-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-(4-carbethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H22N4O5 MolecularWeight: 458.46598

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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=C(N3)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C25H22N4O5/c1-3-33-24(31)16-6-9-19(10-7-16)27-23(30)15(2)34-25(32)17-8-11-20-21(13-17)29-22(28-20)18-5-4-12-26-14-18/h4-15H,3H2,1-2H3,(H,27,30)(H,28,29)