2-[(3-chlorophenyl)-(3-methylbutanoyl)amino]ethanoic acid

Systemtic Name: 2-[(3-chlorophenyl)-(3-methylbutanoyl)amino]ethanoic acid Openeye Name: 2-[3-chloro-N-(3-methylbutanoyl)anilino]acetic acid CAS Name: 2-(3-chloro-N-(3-methyl-1-oxobutyl)anilino)acetic acid IUPAC Name: 2-[3-chloro-N-(3-methylbutanoyl)anilino]acetic acid Traditional Name: 2-(3-chloro-N-isovaleryl-anilino)acetic acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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