4-[(2,5-dimethylphenyl)carbonylamino]butanoate

Systemtic Name: 4-[(2,5-dimethylphenyl)carbonylamino]butanoate Openeye Name: 4-[(2,5-dimethylbenzoyl)amino]butanoate CAS Name: 4-[[(2,5-dimethylphenyl)-oxomethyl]amino]butanoate IUPAC Name: 4-[(2,5-dimethylbenzoyl)amino]butanoate Traditional Name: 4-[(2,5-dimethylbenzoyl)amino]butyrate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-9-5-6-10(2)11(8-9)13(17)14-7-3-4-12(15)16/h5-6,8H,3-4,7H2,1-2H3,(H,14,17)(H,15,16)/p-1