3-[(4-ethylphenyl)-(2-methylpropanoyl)amino]propanoic acid

Systemtic Name: 3-[(4-ethylphenyl)-(2-methylpropanoyl)amino]propanoic acid Openeye Name: 3-[4-ethyl-N-(2-methylpropanoyl)anilino]propanoic acid CAS Name: 3-(4-ethyl-N-(2-methyl-1-oxopropyl)anilino)propanoic acid IUPAC Name: 3-[4-ethyl-N-(2-methylpropanoyl)anilino]propanoic acid Traditional Name: 3-(4-ethyl-N-isobutyryl-anilino)propionic acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-4-12-5-7-13(8-6-12)16(10-9-14(17)18)15(19)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,18)