[(2S)-1-cyclohexyl-2-ethoxycarbonyl-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-phenylmethoxy-methanolate

Systemtic Name: [(2S)-1-cyclohexyl-2-ethoxycarbonyl-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-phenylmethoxy-methanolate Openeye Name: benzyloxy-[(2S)-1-cyclohexyl-2-ethoxycarbonyl-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: [(2S)-1-cyclohexyl-2-ethoxycarbonyl-4,5-dioxo-3-pyrrolidinylidene]-phenylmethoxymethanolate IUPAC Name: [(2S)-1-cyclohexyl-2-ethoxycarbonyl-4,5-dioxopyrrolidin-3-ylidene]-phenylmethoxymethanolate Traditional Name: benzoxy-[(2S)-2-carbethoxy-1-cyclohexyl-4,5-diketo-pyrrolidin-3-ylidene]methanolate Formula: C21H24NO6- MolecularWeight: 386.41836

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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/p-1/t17-/m0/s1