3-[3-methylbutanoyl-(4-methylphenyl)amino]propanoic acid

Systemtic Name: 3-[3-methylbutanoyl-(4-methylphenyl)amino]propanoic acid Openeye Name: 3-[4-methyl-N-(3-methylbutanoyl)anilino]propanoic acid CAS Name: 3-(4-methyl-N-(3-methyl-1-oxobutyl)anilino)propanoic acid IUPAC Name: 3-[4-methyl-N-(3-methylbutanoyl)anilino]propanoic acid Traditional Name: 3-(N-isovaleryl-4-methyl-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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-11(2)10-14(17)16(9-8-15(18)19)13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,18,19)