[4-(4-chloranylphenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] 4-chloranylbenzoate

Systemtic Name: [4-(4-chloranylphenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] 4-chloranylbenzoate Openeye Name: [4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxo-butyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-(4-chlorophenoxy)-4-(1-imidazolyl)-2,2-dimethyl-3-oxobutyl] ester IUPAC Name: [4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-(4-chlorophenoxy)-4-imidazol-1-yl-3-keto-2,2-dimethyl-butyl] ester Formula: C22H20Cl2N2O4 MolecularWeight: 447.3112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=CC=C(C=C1)Cl)C(=O)C(N2C=CN=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(COC(=O)C1=CC=C(C=C1)Cl)C(=O)C(N2C=CN=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20Cl2N2O4/c1-22(2,13-29-21(28)15-3-5-16(23)6-4-15)19(27)20(26-12-11-25-14-26)30-18-9-7-17(24)8-10-18/h3-12,14,20H,13H2,1-2H3