[2-(4-cyano-2,6-diethyl-phenyl)-8-methyl-3-oxidanylidene-4-azaspiro[4.5]dec-1-en-1-yl] 4-chloranylbenzoate

Systemtic Name: [2-(4-cyano-2,6-diethyl-phenyl)-8-methyl-3-oxidanylidene-4-azaspiro[4.5]dec-1-en-1-yl] 4-chloranylbenzoate Openeye Name: [2-(4-cyano-2,6-diethyl-phenyl)-8-methyl-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-(4-cyano-2,6-diethylphenyl)-8-methyl-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] ester IUPAC Name: [2-(4-cyano-2,6-diethylphenyl)-8-methyl-3-oxo-4-azaspiro[4.5]dec-1-en-1-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-(4-cyano-2,6-diethyl-phenyl)-3-keto-8-methyl-4-azaspiro[4.5]dec-1-en-1-yl] ester Formula: C28H29ClN2O3 MolecularWeight: 476.99446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1C2=C(C3(CCC(CC3)C)NC2=O)OC(=O)C4=CC=C(C=C4)Cl)CC)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1C2=C(C3(CCC(CC3)C)NC2=O)OC(=O)C4=CC=C(C=C4)Cl)CC)C#N

InChI

InChI=1S/C28H29ClN2O3/c1-4-19-14-18(16-30)15-20(5-2)23(19)24-25(34-27(33)21-6-8-22(29)9-7-21)28(31-26(24)32)12-10-17(3)11-13-28/h6-9,14-15,17H,4-5,10-13H2,1-3H3,(H,31,32)