[1-(cyclohexen-1-yl)-3-ethyl-pent-1-yn-3-yl] benzoate

Systemtic Name: [1-(cyclohexen-1-yl)-3-ethyl-pent-1-yn-3-yl] benzoate Openeye Name: [3-(cyclohexen-1-yl)-1,1-diethyl-prop-2-ynyl] benzoate CAS Name: benzoic acid [1-(1-cyclohexenyl)-3-ethylpent-1-yn-3-yl] ester IUPAC Name: [1-(cyclohexen-1-yl)-3-ethylpent-1-yn-3-yl] benzoate Traditional Name: benzoic acid [3-(cyclohexen-1-yl)-1,1-diethyl-prop-2-ynyl] ester Formula: C20H24O2 MolecularWeight: 296.40336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC1=CCCCC1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(CC)(C#CC1=CCCCC1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H24O2/c1-3-20(4-2,16-15-17-11-7-5-8-12-17)22-19(21)18-13-9-6-10-14-18/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3