[4-[3-oxidanyl-2-(2-oxidanylideneethyl)cyclopentyl]-1-phenoxy-but-3-yn-2-yl] benzoate

Systemtic Name: [4-[3-oxidanyl-2-(2-oxidanylideneethyl)cyclopentyl]-1-phenoxy-but-3-yn-2-yl] benzoate Openeye Name: [3-[3-hydroxy-2-(2-oxoethyl)cyclopentyl]-1-(phenoxymethyl)prop-2-ynyl] benzoate CAS Name: benzoic acid [4-[3-hydroxy-2-(2-oxoethyl)cyclopentyl]-1-phenoxybut-3-yn-2-yl] ester IUPAC Name: [4-[3-hydroxy-2-(2-oxoethyl)cyclopentyl]-1-phenoxybut-3-yn-2-yl] benzoate Traditional Name: benzoic acid [3-[3-hydroxy-2-(2-ketoethyl)cyclopentyl]-1-(phenoxymethyl)prop-2-ynyl] ester Formula: C24H24O5 MolecularWeight: 392.44436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1C#CC(COC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CC=O)O

Isomeric SMILES

C1CC(C(C1C#CC(COC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CC=O)O

InChI

InChI=1S/C24H24O5/c25-16-15-22-18(12-14-23(22)26)11-13-21(17-28-20-9-5-2-6-10-20)29-24(27)19-7-3-1-4-8-19/h1-10,16,18,21-23,26H,12,14-15,17H2