2-[3-methylbutanoyl(phenyl)amino]propanoic acid

Systemtic Name: 2-[3-methylbutanoyl(phenyl)amino]propanoic acid Openeye Name: 2-[N-(3-methylbutanoyl)anilino]propanoic acid CAS Name: 2-(N-(3-methyl-1-oxobutyl)anilino)propanoic acid IUPAC Name: 2-[N-(3-methylbutanoyl)anilino]propanoic acid Traditional Name: 2-(N-isovalerylanilino)propionic acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-10(2)9-13(16)15(11(3)14(17)18)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,17,18)