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

Systemtic Name: 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoic acid; piperazine Openeye Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoic acid; piperazine CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid; piperazine IUPAC Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid; piperazine Traditional Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid; piperazine Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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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.C1CNCCN1

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.C1CNCCN1

InChI

InChI=1S/C17H15ClO4.C4H10N2/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;1-2-6-4-3-5-1/h3-10H,1-2H3,(H,20,21);5-6H,1-4H2