pyridin-3-ylmethyl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate hydrochloride

Systemtic Name: pyridin-3-ylmethyl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate hydrochloride Openeye Name: 3-pyridylmethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate hydrochloride CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid 3-pyridinylmethyl ester hydrochloride IUPAC Name: pyridin-3-ylmethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate hydrochloride Traditional Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid 3-pyridylmethyl ester hydrochloride Formula: C23H21Cl2NO4 MolecularWeight: 446.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl.Cl

Isomeric SMILES

CC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl.Cl

InChI

InChI=1S/C23H20ClNO4.ClH/c1-23(2,22(27)28-15-16-4-3-13-25-14-16)29-20-11-7-18(8-12-20)21(26)17-5-9-19(24)10-6-17;/h3-14H,15H2,1-2H3;1H