[4-(4-chloranylphenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] (3E,5E)-hepta-3,5-dienoate

Systemtic Name: [4-(4-chloranylphenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] (3E,5E)-hepta-3,5-dienoate Openeye Name: [4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxo-butyl] (3E,5E)-hepta-3,5-dienoate CAS Name: (3E,5E)-hepta-3,5-dienoic 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] (3E,5E)-hepta-3,5-dienoate Traditional Name: (3E,5E)-hepta-3,5-dienoic acid [4-(4-chlorophenoxy)-4-imidazol-1-yl-3-keto-2,2-dimethyl-butyl] ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CCC(=O)OCC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl

Isomeric SMILES

C/C=C/C=C/CC(=O)OCC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-4-5-6-7-8-19(26)28-15-22(2,3)20(27)21(25-14-13-24-16-25)29-18-11-9-17(23)10-12-18/h4-7,9-14,16,21H,8,15H2,1-3H3/b5-4+,7-6+