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

Systemtic Name: 3-[(2-chlorophenyl)-(3-methylbutanoyl)amino]propanoic acid Openeye Name: 3-[2-chloro-N-(3-methylbutanoyl)anilino]propanoic acid CAS Name: 3-(2-chloro-N-(3-methyl-1-oxobutyl)anilino)propanoic acid IUPAC Name: 3-[2-chloro-N-(3-methylbutanoyl)anilino]propanoic acid Traditional Name: 3-(2-chloro-N-isovaleryl-anilino)propionic acid Formula: C14H18ClNO3 MolecularWeight: 283.75062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCC(=O)O)C1=CC=CC=C1Cl

Isomeric SMILES

CC(C)CC(=O)N(CCC(=O)O)C1=CC=CC=C1Cl

InChI

InChI=1S/C14H18ClNO3/c1-10(2)9-13(17)16(8-7-14(18)19)12-6-4-3-5-11(12)15/h3-6,10H,7-9H2,1-2H3,(H,18,19)