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

Systemtic Name: [1-(7-oxabicyclo[4.1.0]heptan-6-yl)-5-phenyl-pent-1-yn-3-yl] benzoate Openeye Name: [3-(7-oxabicyclo[4.1.0]heptan-6-yl)-1-phenethyl-prop-2-ynyl] benzoate CAS Name: benzoic acid [1-(7-oxabicyclo[4.1.0]heptan-6-yl)-5-phenylpent-1-yn-3-yl] ester IUPAC Name: [1-(7-oxabicyclo[4.1.0]heptan-6-yl)-5-phenylpent-1-yn-3-yl] benzoate Traditional Name: benzoic acid [3-(7-oxabicyclo[4.1.0]heptan-6-yl)-1-phenethyl-prop-2-ynyl] ester Formula: C24H24O3 MolecularWeight: 360.44556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)O2)C#CC(CCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2(C(C1)O2)C#CC(CCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24O3/c25-23(20-11-5-2-6-12-20)26-21(15-14-19-9-3-1-4-10-19)16-18-24-17-8-7-13-22(24)27-24/h1-6,9-12,21-22H,7-8,13-15,17H2