[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC2=C(C=C1)N(C(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC2=C(C=C1)N(C(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-4-17(5-2)24-21(26)14-28-22(27)16-11-12-20-19(13-16)23-15(3)25(20)18-9-7-6-8-10-18/h6-13,17H,4-5,14H2,1-3H3,(H,24,26)