(3R)-3-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)butanoate

Systemtic Name: (3R)-3-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)butanoate Openeye Name: (3R)-3-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)butanoate CAS Name: (3R)-3-(1,3-dimethyl-2-oxo-5-benzimidazolyl)butanoate IUPAC Name: (3R)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanoate Traditional Name: (3R)-3-(2-keto-1,3-dimethyl-benzimidazol-5-yl)butyrate Formula: C13H15N2O3- MolecularWeight: 247.2698

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])C1=CC2=C(C=C1)N(C(=O)N2C)C

Isomeric SMILES

C[C@H](CC(=O)[O-])C1=CC2=C(C=C1)N(C(=O)N2C)C

InChI

InChI=1S/C13H16N2O3/c1-8(6-12(16)17)9-4-5-10-11(7-9)15(3)13(18)14(10)2/h4-5,7-8H,6H2,1-3H3,(H,16,17)/p-1/t8-/m1/s1