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

Systemtic Name: ethyl 4-[(E)-4-[2-methyl-6-(2-methylpropanoyloxy)cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Openeye Name: ethyl 4-[(E)-4-[2-methyl-6-(2-methylpropanoyloxy)cyclohexen-1-yl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-methyl-6-(2-methyl-1-oxopropoxy)-1-cyclohexenyl]but-3-en-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-[2-methyl-6-(2-methylpropanoyloxy)cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(6-isobutyryloxy-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid ethyl ester Formula: C24H28O4 MolecularWeight: 380.47672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H28O4/c1-5-27-24(26)20-15-13-19(14-16-20)10-6-7-11-21-18(4)9-8-12-22(21)28-23(25)17(2)3/h7,11,13-17,22H,5,8-9,12H2,1-4H3/b11-7+