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

Systemtic Name: 5-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-1-ethyl-2-methyl-benzimidazole-4-carboxylic acid Openeye Name: 5-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-1-ethyl-2-methyl-benzimidazole-4-carboxylic acid CAS Name: 5-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-1-ethyl-2-methyl-4-benzimidazolecarboxylic acid IUPAC Name: 5-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-1-ethyl-2-methylbenzimidazole-4-carboxylic acid Traditional Name: 5-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-1-ethyl-2-methyl-benzimidazole-4-carboxylic acid Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=CC(=C2C(=O)O)C(=O)NC(C)(C(C)C)C(=O)N)C

Isomeric SMILES

CCN1C(=NC2=C1C=CC(=C2C(=O)O)C(=O)NC(C)(C(C)C)C(=O)N)C

InChI

InChI=1S/C18H24N4O4/c1-6-22-10(4)20-14-12(22)8-7-11(13(14)16(24)25)15(23)21-18(5,9(2)3)17(19)26/h7-9H,6H2,1-5H3,(H2,19,26)(H,21,23)(H,24,25)