2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoic acid; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoic acid; 2-(2-hydroxyethylamino)ethanol Openeye Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoic acid; 2-(2-hydroxyethylamino)ethanol CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid; 2-(2-hydroxyethylamino)ethanol IUPAC Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid; 2-(2-hydroxyethylamino)ethanol Traditional Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid; 2-(2-hydroxyethylamino)ethanol Formula: C21H26ClNO6 MolecularWeight: 423.88724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.C(CO)NCCO

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.C(CO)NCCO

InChI

InChI=1S/C17H15ClO4.C4H11NO2/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;6-3-1-5-2-4-7/h3-10H,1-2H3,(H,20,21);5-7H,1-4H2