propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate; 2-(trimethylazaniumyl)ethanoate Openeye Name: isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate; 2-(trimethylammonio)acetate CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid propan-2-yl ester; 2-(trimethylammonio)acetate IUPAC Name: propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate; 2-(trimethylazaniumyl)acetate Traditional Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid isopropyl ester; 2-(trimethylammonio)acetate Formula: C25H32ClNO6 MolecularWeight: 477.97768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C20H21ClO4.C5H11NO2/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14;1-6(2,3)4-5(7)8/h5-13H,1-4H3;4H2,1-3H3