[6-cyano-3-methyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)hex-1-yn-3-yl] benzoate

Systemtic Name: [6-cyano-3-methyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)hex-1-yn-3-yl] benzoate Openeye Name: [4-cyano-1-methyl-1-[2-(7-oxabicyclo[4.1.0]heptan-6-yl)ethynyl]butyl] benzoate CAS Name: benzoic acid [6-cyano-3-methyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)hex-1-yn-3-yl] ester IUPAC Name: [6-cyano-3-methyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)hex-1-yn-3-yl] benzoate Traditional Name: benzoic acid [1-(3-cyanopropyl)-1-methyl-3-(7-oxabicyclo[4.1.0]heptan-6-yl)prop-2-ynyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC#N)(C#CC12CCCCC1O2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CCCC#N)(C#CC12CCCCC1O2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c1-20(12-7-8-16-22,25-19(23)17-9-3-2-4-10-17)14-15-21-13-6-5-11-18(21)24-21/h2-4,9-10,18H,5-8,11-13H2,1H3