2-[[2-acetyloxy-3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-acetyloxy-3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-acetoxy-3,5-dichloro-4-hydroxy-benzoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2-acetyloxy-3,5-dichloro-4-hydroxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-acetyloxy-3,5-dichloro-4-hydroxybenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-acetoxy-3,5-dichloro-4-hydroxy-benzoyl)amino]-3-phenyl-propionic acid Formula: C18H15Cl2NO6 MolecularWeight: 412.2208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C=C1C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O)Cl

Isomeric SMILES

CC(=O)OC1=C(C(=C(C=C1C(=O)NC(CC2=CC=CC=C2)C(=O)O)Cl)O)Cl

InChI

InChI=1S/C18H15Cl2NO6/c1-9(22)27-16-11(8-12(19)15(23)14(16)20)17(24)21-13(18(25)26)7-10-5-3-2-4-6-10/h2-6,8,13,23H,7H2,1H3,(H,21,24)(H,25,26)