2-(2-azanylethyl)-4-(4-methylphenyl)-3-oxidanylidene-butanoic acid

Systemtic Name: 2-(2-azanylethyl)-4-(4-methylphenyl)-3-oxidanylidene-butanoic acid Openeye Name: 2-(2-aminoethyl)-3-oxo-4-(p-tolyl)butanoic acid CAS Name: 2-(2-aminoethyl)-4-(4-methylphenyl)-3-oxobutanoic acid IUPAC Name: 2-(2-aminoethyl)-4-(4-methylphenyl)-3-oxobutanoic acid Traditional Name: 2-(2-aminoethyl)-3-keto-4-(p-tolyl)butyric acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)C(CCN)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)C(CCN)C(=O)O

InChI

InChI=1S/C13H17NO3/c1-9-2-4-10(5-3-9)8-12(15)11(6-7-14)13(16)17/h2-5,11H,6-8,14H2,1H3,(H,16,17)