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

Systemtic Name: 3-[(3-chlorophenyl)-(3-methylbutanoyl)amino]propanoic acid Openeye Name: 3-[3-chloro-N-(3-methylbutanoyl)anilino]propanoic acid CAS Name: 3-(3-chloro-N-(3-methyl-1-oxobutyl)anilino)propanoic acid IUPAC Name: 3-[3-chloro-N-(3-methylbutanoyl)anilino]propanoic acid Traditional Name: 3-(3-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=C1)Cl

Isomeric SMILES

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

InChI

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