[3-methyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)-5-phenyl-pent-1-yn-3-yl] benzoate

Systemtic Name: [3-methyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)-5-phenyl-pent-1-yn-3-yl] benzoate Openeye Name: [1-methyl-3-(7-oxabicyclo[4.1.0]heptan-6-yl)-1-phenethyl-prop-2-ynyl] benzoate CAS Name: benzoic acid [3-methyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)-5-phenylpent-1-yn-3-yl] ester IUPAC Name: [3-methyl-1-(7-oxabicyclo[4.1.0]heptan-6-yl)-5-phenylpent-1-yn-3-yl] benzoate Traditional Name: benzoic acid [1-methyl-3-(7-oxabicyclo[4.1.0]heptan-6-yl)-1-phenethyl-prop-2-ynyl] ester Formula: C25H26O3 MolecularWeight: 374.47214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)(C#CC23CCCCC2O3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(CCC1=CC=CC=C1)(C#CC23CCCCC2O3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26O3/c1-24(17-15-20-10-4-2-5-11-20,28-23(26)21-12-6-3-7-13-21)18-19-25-16-9-8-14-22(25)27-25/h2-7,10-13,22H,8-9,14-17H2,1H3