ethyl 3-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazole-1-carboxylate

Systemtic Name: ethyl 3-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazole-1-carboxylate Openeye Name: ethyl 3-[(5-isocyano-1-isopentyl-benzimidazol-2-yl)methyl]-2-oxo-benzimidazole-1-carboxylate CAS Name: 3-[[5-isocyano-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-isocyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazole-1-carboxylate Traditional Name: 3-[(1-isoamyl-5-isocyano-benzimidazol-2-yl)methyl]-2-keto-benzimidazole-1-carboxylic acid ethyl ester Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=NC4=C(N3CCC(C)C)C=CC(=C4)[N+]#[C-]

Isomeric SMILES

CCOC(=O)N1C2=CC=CC=C2N(C1=O)CC3=NC4=C(N3CCC(C)C)C=CC(=C4)[N+]#[C-]

InChI

InChI=1S/C24H25N5O3/c1-5-32-24(31)29-21-9-7-6-8-20(21)28(23(29)30)15-22-26-18-14-17(25-4)10-11-19(18)27(22)13-12-16(2)3/h6-11,14,16H,5,12-13,15H2,1-3H3