(2R)-2-(2-hydroxyethylazaniumyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-hydroxyethylazaniumyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-hydroxyethylammonio)-4-oxo-4-(p-tolyl)butanoate CAS Name: (2R)-2-(2-hydroxyethylammonio)-4-(4-methylphenyl)-4-oxobutanoate IUPAC Name: (2R)-2-(2-hydroxyethylazaniumyl)-4-(4-methylphenyl)-4-oxobutanoate Traditional Name: (2R)-2-(2-hydroxyethylammonio)-4-keto-4-(p-tolyl)butyrate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CCO

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]CCO

InChI

InChI=1S/C13H17NO4/c1-9-2-4-10(5-3-9)12(16)8-11(13(17)18)14-6-7-15/h2-5,11,14-15H,6-8H2,1H3,(H,17,18)/t11-/m1/s1