O3-tert-butyl O6-methyl (1S)-1-(methoxymethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indole-3,6-dicarboxylate

Systemtic Name: O3-tert-butyl O6-methyl (1S)-1-(methoxymethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indole-3,6-dicarboxylate Openeye Name: O3-tert-butyl O6-methyl (1S)-5-hydroxy-1-(methoxymethyl)-1,2-dihydrobenzo[e]indole-3,6-dicarboxylate CAS Name: (1S)-5-hydroxy-1-(methoxymethyl)-1,2-dihydrobenzo[e]indole-3,6-dicarboxylic acid O3-tert-butyl ester O6-methyl ester IUPAC Name: 3-O-tert-butyl 6-O-methyl (1S)-5-hydroxy-1-(methoxymethyl)-1,2-dihydrobenzo[e]indole-3,6-dicarboxylate Traditional Name: (1S)-5-hydroxy-1-(methoxymethyl)-1,2-dihydrobenz[e]indole-3,6-dicarboxylic acid O3-tert-butyl ester O6-methyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C3C=CC=C(C3=C(C=C21)O)C(=O)OC)COC

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C2=C3C=CC=C(C3=C(C=C21)O)C(=O)OC)COC

InChI

InChI=1S/C21H25NO6/c1-21(2,3)28-20(25)22-10-12(11-26-4)17-13-7-6-8-14(19(24)27-5)18(13)16(23)9-15(17)22/h6-9,12,23H,10-11H2,1-5H3/t12-/m0/s1