4-[(1,2-dimethylbenzimidazol-5-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1,2-dimethylbenzimidazol-5-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1,2-dimethylbenzimidazol-5-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(1,2-dimethyl-5-benzimidazolyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(1,2-dimethylbenzimidazol-5-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1,2-dimethylbenzimidazol-5-yl)amino]-4-keto-butyric acid Formula: C13H15N3O3 MolecularWeight: 261.2765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C)C=CC(=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=NC2=C(N1C)C=CC(=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H15N3O3/c1-8-14-10-7-9(3-4-11(10)16(8)2)15-12(17)5-6-13(18)19/h3-4,7H,5-6H2,1-2H3,(H,15,17)(H,18,19)