3-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)propanoic acid

Systemtic Name: 3-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)propanoic acid Openeye Name: 3-(1,3,6-trimethyl-2-oxo-benzimidazol-5-yl)propanoic acid CAS Name: 3-(1,3,6-trimethyl-2-oxo-5-benzimidazolyl)propanoic acid IUPAC Name: 3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)propanoic acid Traditional Name: 3-(2-keto-1,3,6-trimethyl-benzimidazol-5-yl)propionic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1CCC(=O)O)N(C(=O)N2C)C

Isomeric SMILES

CC1=CC2=C(C=C1CCC(=O)O)N(C(=O)N2C)C

InChI

InChI=1S/C13H16N2O3/c1-8-6-10-11(15(3)13(18)14(10)2)7-9(8)4-5-12(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)