[1-methyl-4-oxidanylidene-3-(4-phenylmethoxybutyl)cyclohex-2-en-1-yl]methyl 2-cyanoethanoate

Systemtic Name: [1-methyl-4-oxidanylidene-3-(4-phenylmethoxybutyl)cyclohex-2-en-1-yl]methyl 2-cyanoethanoate Openeye Name: [3-(4-benzyloxybutyl)-1-methyl-4-oxo-cyclohex-2-en-1-yl]methyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid [1-methyl-4-oxo-3-(4-phenylmethoxybutyl)-1-cyclohex-2-enyl]methyl ester IUPAC Name: [1-methyl-4-oxo-3-(4-phenylmethoxybutyl)cyclohex-2-en-1-yl]methyl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [3-(4-benzoxybutyl)-4-keto-1-methyl-cyclohex-2-en-1-yl]methyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C(=C1)CCCCOCC2=CC=CC=C2)COC(=O)CC#N

Isomeric SMILES

CC1(CCC(=O)C(=C1)CCCCOCC2=CC=CC=C2)COC(=O)CC#N

InChI

InChI=1S/C22H27NO4/c1-22(17-27-21(25)11-13-23)12-10-20(24)19(15-22)9-5-6-14-26-16-18-7-3-2-4-8-18/h2-4,7-8,15H,5-6,9-12,14,16-17H2,1H3