tert-butyl (1R)-1-(hydroxymethyl)-4-iodanyl-5-(methoxymethoxy)-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl (1R)-1-(hydroxymethyl)-4-iodanyl-5-(methoxymethoxy)-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl (1R)-1-(hydroxymethyl)-4-iodo-5-(methoxymethoxy)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: (1R)-1-(hydroxymethyl)-4-iodo-5-(methoxymethoxy)-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R)-1-(hydroxymethyl)-4-iodo-5-(methoxymethoxy)-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: (1R)-4-iodo-5-(methoxymethoxy)-1-methylol-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C20H24INO5 MolecularWeight: 485.31273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24INO5/c1-20(2,3)27-19(24)22-9-12(10-23)15-13-7-5-6-8-14(13)18(26-11-25-4)16(21)17(15)22/h5-8,12,23H,9-11H2,1-4H3/t12-/m1/s1