dimethyl (1S,2S,3R,9aR)-9-oxidanylidene-1-pyrrolidin-1-yl-1,2,3,9a-tetrahydroxanthene-2,3-dicarboxylate

Systemtic Name: dimethyl (1S,2S,3R,9aR)-9-oxidanylidene-1-pyrrolidin-1-yl-1,2,3,9a-tetrahydroxanthene-2,3-dicarboxylate Openeye Name: dimethyl (1S,2S,3R,9aR)-9-oxo-1-pyrrolidin-1-yl-1,2,3,9a-tetrahydroxanthene-2,3-dicarboxylate CAS Name: (1S,2S,3R,9aR)-9-oxo-1-(1-pyrrolidinyl)-1,2,3,9a-tetrahydroxanthene-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2S,3R,9aR)-9-oxo-1-pyrrolidin-1-yl-1,2,3,9a-tetrahydroxanthene-2,3-dicarboxylate Traditional Name: (1S,2S,3R,9aR)-9-keto-1-pyrrolidino-1,2,3,9a-tetrahydroxanthene-2,3-dicarboxylic acid dimethyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=C2C(C(C1C(=O)OC)N3CCCC3)C(=O)C4=CC=CC=C4O2

Isomeric SMILES

COC(=O)[C@@H]1C=C2[C@@H]([C@@H]([C@H]1C(=O)OC)N3CCCC3)C(=O)C4=CC=CC=C4O2

InChI

InChI=1S/C21H23NO6/c1-26-20(24)13-11-15-17(19(23)12-7-3-4-8-14(12)28-15)18(16(13)21(25)27-2)22-9-5-6-10-22/h3-4,7-8,11,13,16-18H,5-6,9-10H2,1-2H3/t13-,16+,17+,18-/m1/s1