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

Systemtic Name: pentyl (3aR,8bR)-2-methyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-1H-indeno[1,2-b]pyrrole-3-carboxylate Openeye Name: pentyl (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 pentyl ester IUPAC Name: pentyl (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 amyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2(C1(C(=O)C3=CC=CC=C32)O)O)C

Isomeric SMILES

CCCCCOC(=O)C1=C(N[C@@]2([C@]1(C(=O)C3=CC=CC=C32)O)O)C

InChI

InChI=1S/C18H21NO5/c1-3-4-7-10-24-16(21)14-11(2)19-18(23)13-9-6-5-8-12(13)15(20)17(14,18)22/h5-6,8-9,19,22-23H,3-4,7,10H2,1-2H3/t17-,18+/m0/s1