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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CCC(=O)O)C(=O)CC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CCC(=O)O)C(=O)CC(C)C

InChI

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