[2-(2-bromanyl-4,5-dimethyl-phenyl)-8-methoxy-3-oxidanylidene-4-azaspiro[4.5]dec-1-en-1-yl] 2-methylpropanoate

Systemtic Name: [2-(2-bromanyl-4,5-dimethyl-phenyl)-8-methoxy-3-oxidanylidene-4-azaspiro[4.5]dec-1-en-1-yl] 2-methylpropanoate Openeye Name: [2-(2-bromo-4,5-dimethyl-phenyl)-8-methoxy-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-(2-bromo-4,5-dimethylphenyl)-8-methoxy-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] ester IUPAC Name: [2-(2-bromo-4,5-dimethylphenyl)-8-methoxy-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-(2-bromo-4,5-dimethyl-phenyl)-3-keto-8-methoxy-4-azaspiro[4.5]dec-1-en-1-yl] ester Formula: C22H28BrNO4 MolecularWeight: 450.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=C(C3(CCC(CC3)OC)NC2=O)OC(=O)C(C)C)Br)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=C(C3(CCC(CC3)OC)NC2=O)OC(=O)C(C)C)Br)C

InChI

InChI=1S/C22H28BrNO4/c1-12(2)21(26)28-19-18(16-10-13(3)14(4)11-17(16)23)20(25)24-22(19)8-6-15(27-5)7-9-22/h10-12,15H,6-9H2,1-5H3,(H,24,25)