ethyl (2S)-1-cyclohexyl-4,5-bis(oxidanylidene)-3-[oxidanyl(phenylmethoxy)methylidene]pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-cyclohexyl-4,5-bis(oxidanylidene)-3-[oxidanyl(phenylmethoxy)methylidene]pyrrolidine-2-carboxylate Openeye Name: ethyl (2S)-3-[benzyloxy(hydroxy)methylene]-1-cyclohexyl-4,5-dioxo-pyrrolidine-2-carboxylate CAS Name: (2S)-1-cyclohexyl-3-[hydroxy(phenylmethoxy)methylidene]-4,5-dioxo-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-cyclohexyl-3-[hydroxy(phenylmethoxy)methylidene]-4,5-dioxopyrrolidine-2-carboxylate Traditional Name: (2S)-3-[benzoxy(hydroxy)methylene]-1-cyclohexyl-4,5-diketo-pyrrolidine-2-carboxylic acid ethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C(O)OCC2=CC=CC=C2)C(=O)C(=O)N1C3CCCCC3

Isomeric SMILES

CCOC(=O)[C@@H]1C(=C(O)OCC2=CC=CC=C2)C(=O)C(=O)N1C3CCCCC3

InChI

InChI=1S/C21H25NO6/c1-2-27-21(26)17-16(20(25)28-13-14-9-5-3-6-10-14)18(23)19(24)22(17)15-11-7-4-8-12-15/h3,5-6,9-10,15,17,25H,2,4,7-8,11-13H2,1H3/t17-/m0/s1