3-[(3,5-dimethylphenyl)-(2,2-dimethylpropanoyl)amino]propanoate

Systemtic Name: 3-[(3,5-dimethylphenyl)-(2,2-dimethylpropanoyl)amino]propanoate Openeye Name: 3-[N-(2,2-dimethylpropanoyl)-3,5-dimethyl-anilino]propanoate CAS Name: 3-(N-(2,2-dimethyl-1-oxopropyl)-3,5-dimethylanilino)propanoate IUPAC Name: 3-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]propanoate Traditional Name: 3-(3,5-dimethyl-N-pivaloyl-anilino)propionate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC(=O)[O-])C(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC(=O)[O-])C(=O)C(C)(C)C)C

InChI

InChI=1S/C16H23NO3/c1-11-8-12(2)10-13(9-11)17(7-6-14(18)19)15(20)16(3,4)5/h8-10H,6-7H2,1-5H3,(H,18,19)/p-1