[2-(2-chlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 3-(diethylamino)benzoate

Systemtic Name: [2-(2-chlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 3-(diethylamino)benzoate Openeye Name: [2-(2-chlorophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 3-(diethylamino)benzoate CAS Name: 3-(diethylamino)benzoic acid [2-(2-chlorophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-chlorophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 3-(diethylamino)benzoate Traditional Name: 3-(diethylamino)benzoic acid [2-(2-chlorophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C25H28ClNO3 MolecularWeight: 425.94772

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=CC(=C1)C(=O)OC2=C(C(=O)CC(C2)(C)C)C3=CC=CC=C3Cl

Isomeric SMILES

CCN(CC)C1=CC=CC(=C1)C(=O)OC2=C(C(=O)CC(C2)(C)C)C3=CC=CC=C3Cl

InChI

InChI=1S/C25H28ClNO3/c1-5-27(6-2)18-11-9-10-17(14-18)24(29)30-22-16-25(3,4)15-21(28)23(22)19-12-7-8-13-20(19)26/h7-14H,5-6,15-16H2,1-4H3