3-[(2,4-dimethylphenyl)-(2-methylpropanoyl)amino]propanoic acid

Systemtic Name: 3-[(2,4-dimethylphenyl)-(2-methylpropanoyl)amino]propanoic acid Openeye Name: 3-[2,4-dimethyl-N-(2-methylpropanoyl)anilino]propanoic acid CAS Name: 3-(2,4-dimethyl-N-(2-methyl-1-oxopropyl)anilino)propanoic acid IUPAC Name: 3-[2,4-dimethyl-N-(2-methylpropanoyl)anilino]propanoic acid Traditional Name: 3-(N-isobutyryl-2,4-dimethyl-anilino)propionic acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CCC(=O)O)C(=O)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CCC(=O)O)C(=O)C(C)C)C

InChI

InChI=1S/C15H21NO3/c1-10(2)15(19)16(8-7-14(17)18)13-6-5-11(3)9-12(13)4/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)