[6-cyano-1-(cyclohexen-1-yl)-3-methyl-hex-1-yn-3-yl] benzoate

Systemtic Name: [6-cyano-1-(cyclohexen-1-yl)-3-methyl-hex-1-yn-3-yl] benzoate Openeye Name: [4-cyano-1-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-butyl] benzoate CAS Name: benzoic acid [6-cyano-1-(1-cyclohexenyl)-3-methylhex-1-yn-3-yl] ester IUPAC Name: [6-cyano-1-(cyclohexen-1-yl)-3-methylhex-1-yn-3-yl] benzoate Traditional Name: benzoic acid [1-(3-cyanopropyl)-3-(cyclohexen-1-yl)-1-methyl-prop-2-ynyl] ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC#N)(C#CC1=CCCCC1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CCCC#N)(C#CC1=CCCCC1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO2/c1-21(15-8-9-17-22,16-14-18-10-4-2-5-11-18)24-20(23)19-12-6-3-7-13-19/h3,6-7,10,12-13H,2,4-5,8-9,11,15H2,1H3