2-[(4-chlorophenyl)-(3-methylbutanoyl)amino]ethanoate

Systemtic Name: 2-[(4-chlorophenyl)-(3-methylbutanoyl)amino]ethanoate Openeye Name: 2-[4-chloro-N-(3-methylbutanoyl)anilino]acetate CAS Name: 2-(4-chloro-N-(3-methyl-1-oxobutyl)anilino)acetate IUPAC Name: 2-[4-chloro-N-(3-methylbutanoyl)anilino]acetate Traditional Name: 2-(4-chloro-N-isovaleryl-anilino)acetate Formula: C13H15ClNO3- MolecularWeight: 268.7161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC(=O)[O-])C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)CC(=O)N(CC(=O)[O-])C1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H16ClNO3/c1-9(2)7-12(16)15(8-13(17)18)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,18)/p-1