5-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-2-methyl-1-(phenylmethyl)benzimidazole-4-carboxylic acid

Systemtic Name: 5-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-2-methyl-1-(phenylmethyl)benzimidazole-4-carboxylic acid Openeye Name: 1-benzyl-5-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-2-methyl-benzimidazole-4-carboxylic acid CAS Name: 5-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-2-methyl-1-(phenylmethyl)-4-benzimidazolecarboxylic acid IUPAC Name: 5-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-1-benzyl-2-methylbenzimidazole-4-carboxylic acid Traditional Name: 1-benzyl-5-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-2-methyl-benzimidazole-4-carboxylic acid Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2C(=O)O)C(=O)NC(C)(C(C)C)C(=O)N

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2C(=O)O)C(=O)NC(C)(C(C)C)C(=O)N

InChI

InChI=1S/C23H26N4O4/c1-13(2)23(4,22(24)31)26-20(28)16-10-11-17-19(18(16)21(29)30)25-14(3)27(17)12-15-8-6-5-7-9-15/h5-11,13H,12H2,1-4H3,(H2,24,31)(H,26,28)(H,29,30)