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

Systemtic Name: 2-methylpropyl (3aR,8bR)-2-methyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-1H-indeno[1,2-b]pyrrole-3-carboxylate Openeye Name: isobutyl (3aR,8bR)-3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate CAS Name: (3aR,8bR)-3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (3aR,8bR)-3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate Traditional Name: (3aR,8bR)-3a,8b-dihydroxy-4-keto-2-methyl-1H-indeno[1,2-b]pyrrole-3-carboxylic acid isobutyl ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@@]2(C(=O)C3=CC=CC=C3[C@@]2(N1)O)O)C(=O)OCC(C)C

InChI

InChI=1S/C17H19NO5/c1-9(2)8-23-15(20)13-10(3)18-17(22)12-7-5-4-6-11(12)14(19)16(13,17)21/h4-7,9,18,21-22H,8H2,1-3H3/t16-,17+/m0/s1