[2-(3-chloranyl-2,6-dimethyl-phenyl)-8-methyl-3-oxidanylidene-4-azaspiro[4.5]dec-1-en-1-yl] 3-methylbutanoate

Systemtic Name: [2-(3-chloranyl-2,6-dimethyl-phenyl)-8-methyl-3-oxidanylidene-4-azaspiro[4.5]dec-1-en-1-yl] 3-methylbutanoate Openeye Name: [2-(3-chloro-2,6-dimethyl-phenyl)-8-methyl-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2-(3-chloro-2,6-dimethylphenyl)-8-methyl-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] ester IUPAC Name: [2-(3-chloro-2,6-dimethylphenyl)-8-methyl-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-(3-chloro-2,6-dimethyl-phenyl)-3-keto-8-methyl-4-azaspiro[4.5]dec-1-en-1-yl] ester Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CC1)C(=C(C(=O)N2)C3=C(C=CC(=C3C)Cl)C)OC(=O)CC(C)C

Isomeric SMILES

CC1CCC2(CC1)C(=C(C(=O)N2)C3=C(C=CC(=C3C)Cl)C)OC(=O)CC(C)C

InChI

InChI=1S/C23H30ClNO3/c1-13(2)12-18(26)28-21-20(19-15(4)6-7-17(24)16(19)5)22(27)25-23(21)10-8-14(3)9-11-23/h6-7,13-14H,8-12H2,1-5H3,(H,25,27)