[3-ethyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)pent-1-yn-3-yl] benzoate

Systemtic Name: [3-ethyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)pent-1-yn-3-yl] benzoate Openeye Name: [1,1-diethyl-3-(7-oxabicyclo[4.1.0]heptan-6-yl)prop-2-ynyl] benzoate CAS Name: benzoic acid [3-ethyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)pent-1-yn-3-yl] ester IUPAC Name: [3-ethyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)pent-1-yn-3-yl] benzoate Traditional Name: benzoic acid [1,1-diethyl-3-(7-oxabicyclo[4.1.0]heptan-6-yl)prop-2-ynyl] ester Formula: C20H24O3 MolecularWeight: 312.40276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC12CCCCC1O2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)(C#CC12CCCCC1O2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24O3/c1-3-19(4-2,23-18(21)16-10-6-5-7-11-16)14-15-20-13-9-8-12-17(20)22-20/h5-7,10-11,17H,3-4,8-9,12-13H2,1-2H3