3-[2-ethylbutanoyl-(3-methylphenyl)amino]propanoic acid

Systemtic Name: 3-[2-ethylbutanoyl-(3-methylphenyl)amino]propanoic acid Openeye Name: 3-[N-(2-ethylbutanoyl)-3-methyl-anilino]propanoic acid CAS Name: 3-(N-(2-ethyl-1-oxobutyl)-3-methylanilino)propanoic acid IUPAC Name: 3-[N-(2-ethylbutanoyl)-3-methylanilino]propanoic acid Traditional Name: 3-[N-(2-ethylbutanoyl)-3-methyl-anilino]propionic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-4-13(5-2)16(20)17(10-9-15(18)19)14-8-6-7-12(3)11-14/h6-8,11,13H,4-5,9-10H2,1-3H3,(H,18,19)