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

Systemtic Name: ethyl 4-[(E)-4-(2-methyl-6-propanoyloxy-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate Openeye Name: ethyl 4-[(E)-4-(2-methyl-6-propanoyloxy-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-methyl-6-(1-oxopropoxy)-1-cyclohexenyl]but-3-en-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-(2-methyl-6-propanoyloxycyclohexen-1-yl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(2-methyl-6-propionyloxy-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid ethyl ester Formula: C23H26O4 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CCCC(=C1C=CC#CC2=CC=C(C=C2)C(=O)OCC)C

Isomeric SMILES

CCC(=O)OC1CCCC(=C1/C=C/C#CC2=CC=C(C=C2)C(=O)OCC)C

InChI

InChI=1S/C23H26O4/c1-4-22(24)27-21-12-8-9-17(3)20(21)11-7-6-10-18-13-15-19(16-14-18)23(25)26-5-2/h7,11,13-16,21H,4-5,8-9,12H2,1-3H3/b11-7+