[2-(4-bromanyl-2,6-dimethyl-phenyl)-9-methyl-3-oxidanylidene-4-azaspiro[4.5]dec-1-en-1-yl] 2-methylpropanoate

Systemtic Name: [2-(4-bromanyl-2,6-dimethyl-phenyl)-9-methyl-3-oxidanylidene-4-azaspiro[4.5]dec-1-en-1-yl] 2-methylpropanoate Openeye Name: [2-(4-bromo-2,6-dimethyl-phenyl)-9-methyl-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-(4-bromo-2,6-dimethylphenyl)-9-methyl-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] ester IUPAC Name: [2-(4-bromo-2,6-dimethylphenyl)-9-methyl-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-(4-bromo-2,6-dimethyl-phenyl)-3-keto-9-methyl-4-azaspiro[4.5]dec-1-en-1-yl] ester Formula: C22H28BrNO3 MolecularWeight: 434.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2(C1)C(=C(C(=O)N2)C3=C(C=C(C=C3C)Br)C)OC(=O)C(C)C

Isomeric SMILES

CC1CCCC2(C1)C(=C(C(=O)N2)C3=C(C=C(C=C3C)Br)C)OC(=O)C(C)C

InChI

InChI=1S/C22H28BrNO3/c1-12(2)21(26)27-19-18(17-14(4)9-16(23)10-15(17)5)20(25)24-22(19)8-6-7-13(3)11-22/h9-10,12-13H,6-8,11H2,1-5H3,(H,24,25)