ethyl 4-[(E)-4-[6-(2,2-dimethylpropanoyloxy)-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoate

Systemtic Name: ethyl 4-[(E)-4-[6-(2,2-dimethylpropanoyloxy)-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Openeye Name: ethyl 4-[(E)-4-[6-(2,2-dimethylpropanoyloxy)-2-methyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[6-(2,2-dimethyl-1-oxopropoxy)-2-methyl-1-cyclohexenyl]but-3-en-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-[6-(2,2-dimethylpropanoyloxy)-2-methylcyclohexen-1-yl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(2-methyl-6-pivaloyloxy-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid ethyl ester Formula: C25H30O4 MolecularWeight: 394.5033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC=CC2=C(CCCC2OC(=O)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#C/C=C/C2=C(CCCC2OC(=O)C(C)(C)C)C

InChI

InChI=1S/C25H30O4/c1-6-28-23(26)20-16-14-19(15-17-20)11-7-8-12-21-18(2)10-9-13-22(21)29-24(27)25(3,4)5/h8,12,14-17,22H,6,9-10,13H2,1-5H3/b12-8+