3-[2-[3,5-bis(chloranyl)phenyl]phenyl]-2-[(5-oxidanyl-2-oxidanylidene-hexan-3-yl)amino]propanoic acid

Systemtic Name: 3-[2-[3,5-bis(chloranyl)phenyl]phenyl]-2-[(5-oxidanyl-2-oxidanylidene-hexan-3-yl)amino]propanoic acid Openeye Name: 2-[(1-acetyl-3-hydroxy-butyl)amino]-3-[2-(3,5-dichlorophenyl)phenyl]propanoic acid CAS Name: 3-[2-(3,5-dichlorophenyl)phenyl]-2-[(5-hydroxy-2-oxohexan-3-yl)amino]propanoic acid IUPAC Name: 3-[2-(3,5-dichlorophenyl)phenyl]-2-[(5-hydroxy-2-oxohexan-3-yl)amino]propanoic acid Traditional Name: 2-[(1-acetyl-3-hydroxy-butyl)amino]-3-[2-(3,5-dichlorophenyl)phenyl]propionic acid Formula: C21H23Cl2NO4 MolecularWeight: 424.31762

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)C)NC(CC1=CC=CC=C1C2=CC(=CC(=C2)Cl)Cl)C(=O)O)O

Isomeric SMILES

CC(CC(C(=O)C)NC(CC1=CC=CC=C1C2=CC(=CC(=C2)Cl)Cl)C(=O)O)O

InChI

InChI=1S/C21H23Cl2NO4/c1-12(25)7-19(13(2)26)24-20(21(27)28)10-14-5-3-4-6-18(14)15-8-16(22)11-17(23)9-15/h3-6,8-9,11-12,19-20,24-25H,7,10H2,1-2H3,(H,27,28)