ethyl 3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazole-1-carboxylate

Systemtic Name: ethyl 3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazole-1-carboxylate Openeye Name: ethyl 3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazole-1-carboxylate CAS Name: 3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazole-1-carboxylate Traditional Name: 3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazole-1-carboxylic acid ethyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCC(C)C

Isomeric SMILES

CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCC(C)C

InChI

InChI=1S/C23H26N4O3/c1-4-30-23(29)27-20-12-8-7-11-19(20)26(22(27)28)15-21-24-17-9-5-6-10-18(17)25(21)14-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3