2-ethylhexyl (2E)-2-[3-(butan-2-ylamino)-5,5-dimethyl-cyclohex-2-en-1-ylidene]-2-cyano-ethanoate

Systemtic Name: 2-ethylhexyl (2E)-2-[3-(butan-2-ylamino)-5,5-dimethyl-cyclohex-2-en-1-ylidene]-2-cyano-ethanoate Openeye Name: 2-ethylhexyl (2E)-2-cyano-2-[5,5-dimethyl-3-(sec-butylamino)cyclohex-2-en-1-ylidene]acetate CAS Name: (2E)-2-[3-(butan-2-ylamino)-5,5-dimethyl-1-cyclohex-2-enylidene]-2-cyanoacetic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl (2E)-2-[3-(butan-2-ylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-2-cyanoacetate Traditional Name: (2E)-2-cyano-2-[5,5-dimethyl-3-(sec-butylamino)cyclohex-2-en-1-ylidene]acetic acid 2-ethylhexyl ester Formula: C23H38N2O2 MolecularWeight: 374.56002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(=C1CC(CC(=C1)NC(C)CC)(C)C)C#N

Isomeric SMILES

CCCCC(CC)COC(=O)/C(=C/1\CC(CC(=C1)NC(C)CC)(C)C)/C#N

InChI

InChI=1S/C23H38N2O2/c1-7-10-11-18(9-3)16-27-22(26)21(15-24)19-12-20(25-17(4)8-2)14-23(5,6)13-19/h12,17-18,25H,7-11,13-14,16H2,1-6H3/b21-19-