ethynyl (Z,4E)-2-cyano-4-[3-[(E)-3-cyano-4-ethoxy-4-oxidanyl-but-1-enyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]but-2-enoate

Systemtic Name: ethynyl (Z,4E)-2-cyano-4-[3-[(E)-3-cyano-4-ethoxy-4-oxidanyl-but-1-enyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]but-2-enoate Openeye Name: ethynyl (Z,4E)-2-cyano-4-[3-[(E)-3-cyano-4-ethoxy-4-hydroxy-but-1-enyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]but-2-enoate CAS Name: (Z,4E)-2-cyano-4-[3-[(E)-3-cyano-4-ethoxy-4-hydroxybut-1-enyl]-5,5-dimethyl-1-cyclohex-2-enylidene]-2-butenoic acid ethynyl ester IUPAC Name: ethynyl (Z,4E)-2-cyano-4-[3-[(E)-3-cyano-4-ethoxy-4-hydroxybut-1-enyl]-5,5-dimethylcyclohex-2-en-1-ylidene]but-2-enoate Traditional Name: (Z,4E)-2-cyano-4-[3-[(E)-3-cyano-4-ethoxy-4-hydroxy-but-1-enyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]but-2-enoic acid ethynyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C=CC1=CC(=CC=C(C#N)C(=O)OC#C)CC(C1)(C)C)C#N)O

Isomeric SMILES

CCOC(C(/C=C/C1=C/C(=C/C=C(/C#N)\C(=O)OC#C)/CC(C1)(C)C)C#N)O

InChI

InChI=1S/C22H24N2O4/c1-5-27-20(25)18(14-23)9-7-16-11-17(13-22(3,4)12-16)8-10-19(15-24)21(26)28-6-2/h1,7-11,19,21,26H,6,12-13H2,2-4H3/b10-8+,16-7-,18-9-