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

Systemtic Name: 4-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-1,2-dimethyl-benzimidazole-5-carboxylic acid Openeye Name: 4-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-1,2-dimethyl-benzimidazole-5-carboxylic acid CAS Name: 4-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-1,2-dimethyl-5-benzimidazolecarboxylic acid IUPAC Name: 4-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-1,2-dimethylbenzimidazole-5-carboxylic acid Traditional Name: 4-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-1,2-dimethyl-benzimidazole-5-carboxylic acid Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C)C=CC(=C2C(=O)NC(C)(C(C)C)C(=O)N)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1C)C=CC(=C2C(=O)NC(C)(C(C)C)C(=O)N)C(=O)O

InChI

InChI=1S/C17H22N4O4/c1-8(2)17(4,16(18)25)20-14(22)12-10(15(23)24)6-7-11-13(12)19-9(3)21(11)5/h6-8H,1-5H3,(H2,18,25)(H,20,22)(H,23,24)