[1-naphthalen-2-yl-4-[(1S,2R,3S)-3-oxidanyl-2-(2-oxidanylideneethyl)cyclopentyl]but-3-yn-2-yl] benzoate

Systemtic Name: [1-naphthalen-2-yl-4-[(1S,2R,3S)-3-oxidanyl-2-(2-oxidanylideneethyl)cyclopentyl]but-3-yn-2-yl] benzoate Openeye Name: [3-[(1S,2R,3S)-3-hydroxy-2-(2-oxoethyl)cyclopentyl]-1-(2-naphthylmethyl)prop-2-ynyl] benzoate CAS Name: benzoic acid [4-[(1S,2R,3S)-3-hydroxy-2-(2-oxoethyl)cyclopentyl]-1-(2-naphthalenyl)but-3-yn-2-yl] ester IUPAC Name: [4-[(1S,2R,3S)-3-hydroxy-2-(2-oxoethyl)cyclopentyl]-1-naphthalen-2-ylbut-3-yn-2-yl] benzoate Traditional Name: benzoic acid [3-[(1S,2R,3S)-3-hydroxy-2-(2-ketoethyl)cyclopentyl]-1-(2-naphthylmethyl)prop-2-ynyl] ester Formula: C28H26O4 MolecularWeight: 426.50364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1C#CC(CC2=CC3=CC=CC=C3C=C2)OC(=O)C4=CC=CC=C4)CC=O)O

Isomeric SMILES

C1C[C@@H]([C@@H]([C@H]1C#CC(CC2=CC3=CC=CC=C3C=C2)OC(=O)C4=CC=CC=C4)CC=O)O

InChI

InChI=1S/C28H26O4/c29-17-16-26-22(13-15-27(26)30)12-14-25(32-28(31)23-7-2-1-3-8-23)19-20-10-11-21-6-4-5-9-24(21)18-20/h1-11,17-18,22,25-27,30H,13,15-16,19H2/t22-,25?,26+,27-/m0/s1