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

Systemtic Name: [4-methyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)pent-1-yn-3-yl] benzoate Openeye Name: [1-isopropyl-3-(7-oxabicyclo[4.1.0]heptan-6-yl)prop-2-ynyl] benzoate CAS Name: benzoic acid [4-methyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)pent-1-yn-3-yl] ester IUPAC Name: [4-methyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)pent-1-yn-3-yl] benzoate Traditional Name: benzoic acid [1-isopropyl-3-(7-oxabicyclo[4.1.0]heptan-6-yl)prop-2-ynyl] ester Formula: C19H22O3 MolecularWeight: 298.37618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O3/c1-14(2)16(21-18(20)15-8-4-3-5-9-15)11-13-19-12-7-6-10-17(19)22-19/h3-5,8-9,14,16-17H,6-7,10,12H2,1-2H3