cycloheptyl 2-methyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-1H-indeno[1,2-b]pyrrole-3-carboxylate

Systemtic Name: cycloheptyl 2-methyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-1H-indeno[1,2-b]pyrrole-3-carboxylate Openeye Name: cycloheptyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate CAS Name: 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate Traditional Name: 3a,8b-dihydroxy-4-keto-2-methyl-1H-indeno[1,2-b]pyrrole-3-carboxylic acid cycloheptyl ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)OC4CCCCCC4

Isomeric SMILES

CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)OC4CCCCCC4

InChI

InChI=1S/C20H23NO5/c1-12-16(18(23)26-13-8-4-2-3-5-9-13)19(24)17(22)14-10-6-7-11-15(14)20(19,25)21-12/h6-7,10-11,13,21,24-25H,2-5,8-9H2,1H3