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

Systemtic Name: phenethyl (3aR,8bR)-2-methyl-3a,8b-bis(oxidanyl)-4-oxidanylidene-3H-indeno[1,2-b]pyrrole-3-carboxylate Openeye Name: phenethyl (3aR,8bR)-3a,8b-dihydroxy-2-methyl-4-oxo-3H-indeno[1,2-b]pyrrole-3-carboxylate CAS Name: (3aR,8bR)-3a,8b-dihydroxy-2-methyl-4-oxo-3H-indeno[1,2-b]pyrrole-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (3aR,8bR)-3a,8b-dihydroxy-2-methyl-4-oxo-3H-indeno[1,2-b]pyrrole-3-carboxylate Traditional Name: (3aR,8bR)-3a,8b-dihydroxy-4-keto-2-methyl-3H-indeno[1,2-b]pyrrole-3-carboxylic acid phenethyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2(C3=CC=CC=C3C(=O)C2(C1C(=O)OCCC4=CC=CC=C4)O)O

Isomeric SMILES

CC1=N[C@]2(C3=CC=CC=C3C(=O)[C@]2(C1C(=O)OCCC4=CC=CC=C4)O)O

InChI

InChI=1S/C21H19NO5/c1-13-17(19(24)27-12-11-14-7-3-2-4-8-14)20(25)18(23)15-9-5-6-10-16(15)21(20,26)22-13/h2-10,17,25-26H,11-12H2,1H3/t17?,20-,21+/m0/s1