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

Systemtic Name: 3-[(2,4-dimethylphenyl)-(3-methylbutanoyl)amino]propanoic acid Openeye Name: 3-[2,4-dimethyl-N-(3-methylbutanoyl)anilino]propanoic acid CAS Name: 3-(2,4-dimethyl-N-(3-methyl-1-oxobutyl)anilino)propanoic acid IUPAC Name: 3-[2,4-dimethyl-N-(3-methylbutanoyl)anilino]propanoic acid Traditional Name: 3-(N-isovaleryl-2,4-dimethyl-anilino)propionic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-11(2)9-15(18)17(8-7-16(19)20)14-6-5-12(3)10-13(14)4/h5-6,10-11H,7-9H2,1-4H3,(H,19,20)