tert-butyl (1S)-4-iodanyl-1-(methoxymethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl (1S)-4-iodanyl-1-(methoxymethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl (1S)-5-hydroxy-4-iodo-1-(methoxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: (1S)-5-hydroxy-4-iodo-1-(methoxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-5-hydroxy-4-iodo-1-(methoxymethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: (1S)-5-hydroxy-4-iodo-1-(methoxymethyl)-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C19H22INO4 MolecularWeight: 455.28675

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C1C(=C(C3=CC=CC=C32)O)I)COC

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C2=C1C(=C(C3=CC=CC=C32)O)I)COC

InChI

InChI=1S/C19H22INO4/c1-19(2,3)25-18(23)21-9-11(10-24-4)14-12-7-5-6-8-13(12)17(22)15(20)16(14)21/h5-8,11,22H,9-10H2,1-4H3/t11-/m0/s1