O2-methyl O1-(phenylmethyl) (1R,2S)-1-(6-cyanohex-2-ynyl)-5-oxidanylidene-cyclopentane-1,2-dicarboxylate

Systemtic Name: O2-methyl O1-(phenylmethyl) (1R,2S)-1-(6-cyanohex-2-ynyl)-5-oxidanylidene-cyclopentane-1,2-dicarboxylate Openeye Name: O1-benzyl O2-methyl (1R,2S)-1-(6-cyanohex-2-ynyl)-5-oxo-cyclopentane-1,2-dicarboxylate CAS Name: (1R,2S)-1-(6-cyanohex-2-ynyl)-5-oxocyclopentane-1,2-dicarboxylic acid O2-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-methyl (1R,2S)-1-(6-cyanohex-2-ynyl)-5-oxocyclopentane-1,2-dicarboxylate Traditional Name: (1R,2S)-1-(6-cyanohex-2-ynyl)-5-keto-cyclopentane-1,2-dicarboxylic acid O1-benzyl ester O2-methyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=O)C1(CC#CCCCC#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1CCC(=O)[C@]1(CC#CCCCC#N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H23NO5/c1-27-20(25)18-12-13-19(24)22(18,14-8-3-2-4-9-15-23)21(26)28-16-17-10-6-5-7-11-17/h5-7,10-11,18H,2,4,9,12-14,16H2,1H3/t18-,22-/m1/s1