ethyl 4-[7-(1-acetyloxycyclohexyl)-4-ethanoyl-4-ethoxycarbonyl-hept-6-ynyl]benzoate

Systemtic Name: ethyl 4-[7-(1-acetyloxycyclohexyl)-4-ethanoyl-4-ethoxycarbonyl-hept-6-ynyl]benzoate Openeye Name: ethyl 4-[7-(1-acetoxycyclohexyl)-4-acetyl-4-ethoxycarbonyl-hept-6-ynyl]benzoate CAS Name: 4-[4-acetyl-7-(1-acetyloxycyclohexyl)-4-ethoxycarbonylhept-6-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-acetyl-7-(1-acetyloxycyclohexyl)-4-ethoxycarbonylhept-6-ynyl]benzoate Traditional Name: 4-[7-(1-acetoxycyclohexyl)-4-acetyl-4-carbethoxy-hept-6-ynyl]benzoic acid ethyl ester Formula: C29H38O7 MolecularWeight: 498.60782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCCC(CC#CC2(CCCCC2)OC(=O)C)(C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCCC(CC#CC2(CCCCC2)OC(=O)C)(C(=O)C)C(=O)OCC

InChI

InChI=1S/C29H38O7/c1-5-34-26(32)25-15-13-24(14-16-25)12-10-20-29(22(3)30,27(33)35-6-2)21-11-19-28(36-23(4)31)17-8-7-9-18-28/h13-16H,5-10,12,17-18,20-21H2,1-4H3