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

Systemtic Name: 3-[(3,5-dimethylphenyl)-(2-methylpropanoyl)amino]propanoate Openeye Name: 3-[3,5-dimethyl-N-(2-methylpropanoyl)anilino]propanoate CAS Name: 3-(3,5-dimethyl-N-(2-methyl-1-oxopropyl)anilino)propanoate IUPAC Name: 3-[3,5-dimethyl-N-(2-methylpropanoyl)anilino]propanoate Traditional Name: 3-(N-isobutyryl-3,5-dimethyl-anilino)propionate Formula: C15H20NO3- MolecularWeight: 262.3242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-10(2)15(19)16(6-5-14(17)18)13-8-11(3)7-12(4)9-13/h7-10H,5-6H2,1-4H3,(H,17,18)/p-1