3-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-4-chloranyl-phenyl]-2-methyl-propanoic acid

Systemtic Name: 3-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-4-chloranyl-phenyl]-2-methyl-propanoic acid Openeye Name: 3-[2-(2-amino-3-hydroxy-3-oxo-propyl)-4-chloro-phenyl]-2-methyl-propanoic acid CAS Name: 3-[2-(2-amino-3-hydroxy-3-oxopropyl)-4-chlorophenyl]-2-methylpropanoic acid IUPAC Name: 3-[2-(2-amino-3-hydroxy-3-oxopropyl)-4-chlorophenyl]-2-methylpropanoic acid Traditional Name: 3-[2-(2-amino-3-hydroxy-3-keto-propyl)-4-chloro-phenyl]-2-methyl-propionic acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=C(C=C1)Cl)CC(C(=O)O)N)C(=O)O

Isomeric SMILES

CC(CC1=C(C=C(C=C1)Cl)CC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C13H16ClNO4/c1-7(12(16)17)4-8-2-3-10(14)5-9(8)6-11(15)13(18)19/h2-3,5,7,11H,4,6,15H2,1H3,(H,16,17)(H,18,19)