[4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] 2-cyanoethanoate

Systemtic Name: [4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] 2-cyanoethanoate Openeye Name: [4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxo-butyl] 2-cyanoacetate CAS Name: 2-cyanoacetic acid [4-[4-(4-chlorophenyl)phenoxy]-4-(1-imidazolyl)-2,2-dimethyl-3-oxobutyl] ester IUPAC Name: [4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-3-keto-2,2-dimethyl-butyl] ester Formula: C24H22ClN3O4 MolecularWeight: 451.90218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)CC#N)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(COC(=O)CC#N)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H22ClN3O4/c1-24(2,15-31-21(29)11-12-26)22(30)23(28-14-13-27-16-28)32-20-9-5-18(6-10-20)17-3-7-19(25)8-4-17/h3-10,13-14,16,23H,11,15H2,1-2H3