3-(3-acetamido-2-methyl-phenyl)butanoate

Systemtic Name: 3-(3-acetamido-2-methyl-phenyl)butanoate Openeye Name: 3-(3-acetamido-2-methyl-phenyl)butanoate CAS Name: 3-(3-acetamido-2-methylphenyl)butanoate IUPAC Name: 3-(3-acetamido-2-methylphenyl)butanoate Traditional Name: 3-(3-acetamido-2-methyl-phenyl)butyrate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C)C(C)CC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C)C(C)CC(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-8(7-13(16)17)11-5-4-6-12(9(11)2)14-10(3)15/h4-6,8H,7H2,1-3H3,(H,14,15)(H,16,17)/p-1