3-[2-ethylbutanoyl-(2-methylphenyl)amino]propanoate

Systemtic Name: 3-[2-ethylbutanoyl-(2-methylphenyl)amino]propanoate Openeye Name: 3-[N-(2-ethylbutanoyl)-2-methyl-anilino]propanoate CAS Name: 3-(N-(2-ethyl-1-oxobutyl)-2-methylanilino)propanoate IUPAC Name: 3-[N-(2-ethylbutanoyl)-2-methylanilino]propanoate Traditional Name: 3-[N-(2-ethylbutanoyl)-2-methyl-anilino]propionate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N(CCC(=O)[O-])C1=CC=CC=C1C

Isomeric SMILES

CCC(CC)C(=O)N(CCC(=O)[O-])C1=CC=CC=C1C

InChI

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