ethyl (1S,2S,9aR)-9-oxidanylidene-1-pyrrolidin-1-yl-1,2,3,9a-tetrahydroxanthene-2-carboxylate

Systemtic Name: ethyl (1S,2S,9aR)-9-oxidanylidene-1-pyrrolidin-1-yl-1,2,3,9a-tetrahydroxanthene-2-carboxylate Openeye Name: ethyl (1S,2S,9aR)-9-oxo-1-pyrrolidin-1-yl-1,2,3,9a-tetrahydroxanthene-2-carboxylate CAS Name: (1S,2S,9aR)-9-oxo-1-(1-pyrrolidinyl)-1,2,3,9a-tetrahydroxanthene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S,9aR)-9-oxo-1-pyrrolidin-1-yl-1,2,3,9a-tetrahydroxanthene-2-carboxylate Traditional Name: (1S,2S,9aR)-9-keto-1-pyrrolidino-1,2,3,9a-tetrahydroxanthene-2-carboxylic acid ethyl ester Formula: C20H23NO4 MolecularWeight: 341.40092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC=C2C(C1N3CCCC3)C(=O)C4=CC=CC=C4O2

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4/c1-2-24-20(23)14-9-10-16-17(18(14)21-11-5-6-12-21)19(22)13-7-3-4-8-15(13)25-16/h3-4,7-8,10,14,17-18H,2,5-6,9,11-12H2,1H3/t14-,17-,18+/m0/s1