O2-tert-butyl O1-(phenylmethyl) 5-methyl-2-oxidanyl-3-oxidanylidene-3a,4,5,7a-tetrahydroindole-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-(phenylmethyl) 5-methyl-2-oxidanyl-3-oxidanylidene-3a,4,5,7a-tetrahydroindole-1,2-dicarboxylate Openeye Name: O1-benzyl O2-tert-butyl 2-hydroxy-5-methyl-3-oxo-3a,4,5,7a-tetrahydroindole-1,2-dicarboxylate CAS Name: 2-hydroxy-5-methyl-3-oxo-3a,4,5,7a-tetrahydroindole-1,2-dicarboxylic acid O2-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-tert-butyl 2-hydroxy-5-methyl-3-oxo-3a,4,5,7a-tetrahydroindole-1,2-dicarboxylate Traditional Name: 2-hydroxy-3-keto-5-methyl-3a,4,5,7a-tetrahydroindole-1,2-dicarboxylic acid O1-benzyl ester O2-tert-butyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(C=C1)N(C(C2=O)(C(=O)OC(C)(C)C)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1CC2C(C=C1)N(C(C2=O)(C(=O)OC(C)(C)C)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO6/c1-14-10-11-17-16(12-14)18(24)22(27,19(25)29-21(2,3)4)23(17)20(26)28-13-15-8-6-5-7-9-15/h5-11,14,16-17,27H,12-13H2,1-4H3