[(1R,2R)-2-ethoxy-1-(5-iodanyl-2-oxidanyl-phenyl)-4-oxidanyl-butyl] N-(4-bromophenyl)carbamate

Systemtic Name: [(1R,2R)-2-ethoxy-1-(5-iodanyl-2-oxidanyl-phenyl)-4-oxidanyl-butyl] N-(4-bromophenyl)carbamate Openeye Name: [(1R,2R)-2-ethoxy-4-hydroxy-1-(2-hydroxy-5-iodo-phenyl)butyl] N-(4-bromophenyl)carbamate CAS Name: N-(4-bromophenyl)carbamic acid [(1R,2R)-2-ethoxy-4-hydroxy-1-(2-hydroxy-5-iodophenyl)butyl] ester IUPAC Name: [(1R,2R)-2-ethoxy-4-hydroxy-1-(2-hydroxy-5-iodophenyl)butyl] N-(4-bromophenyl)carbamate Traditional Name: N-(4-bromophenyl)carbamic acid [(1R,2R)-2-ethoxy-4-hydroxy-1-(2-hydroxy-5-iodo-phenyl)butyl] ester Formula: C19H21BrINO5 MolecularWeight: 550.18221

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCO)C(C1=C(C=CC(=C1)I)O)OC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCO[C@H](CCO)[C@@H](C1=C(C=CC(=C1)I)O)OC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H21BrINO5/c1-2-26-17(9-10-23)18(15-11-13(21)5-8-16(15)24)27-19(25)22-14-6-3-12(20)4-7-14/h3-8,11,17-18,23-24H,2,9-10H2,1H3,(H,22,25)/t17-,18-/m1/s1