ethyl (3aS,8bS)-1-butyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-indeno[1,2-b]pyrrole-3-carboxylate

Systemtic Name: ethyl (3aS,8bS)-1-butyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-indeno[1,2-b]pyrrole-3-carboxylate Openeye Name: ethyl (3aS,8bS)-1-butyl-3a,8b-dihydroxy-4-oxo-indeno[1,2-b]pyrrole-3-carboxylate CAS Name: (3aS,8bS)-1-butyl-3a,8b-dihydroxy-4-oxo-3-indeno[1,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (3aS,8bS)-1-butyl-3a,8b-dihydroxy-4-oxoindeno[1,2-b]pyrrole-3-carboxylate Traditional Name: (3aS,8bS)-1-butyl-3a,8b-dihydroxy-4-keto-indeno[1,2-b]pyrrole-3-carboxylic acid ethyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2(C1(C3=CC=CC=C3C2=O)O)O)C(=O)OCC

Isomeric SMILES

CCCCN1C=C([C@@]2([C@]1(C3=CC=CC=C3C2=O)O)O)C(=O)OCC

InChI

InChI=1S/C18H21NO5/c1-3-5-10-19-11-14(16(21)24-4-2)17(22)15(20)12-8-6-7-9-13(12)18(17,19)23/h6-9,11,22-23H,3-5,10H2,1-2H3/t17-,18+/m1/s1