[(1R)-1-(5-iodanyl-2-oxidanyl-phenyl)-4-oxidanyl-butyl] N-naphthalen-1-ylcarbamate

Systemtic Name: [(1R)-1-(5-iodanyl-2-oxidanyl-phenyl)-4-oxidanyl-butyl] N-naphthalen-1-ylcarbamate Openeye Name: [(1R)-4-hydroxy-1-(2-hydroxy-5-iodo-phenyl)butyl] N-(1-naphthyl)carbamate CAS Name: N-(1-naphthalenyl)carbamic acid [(1R)-4-hydroxy-1-(2-hydroxy-5-iodophenyl)butyl] ester IUPAC Name: [(1R)-4-hydroxy-1-(2-hydroxy-5-iodophenyl)butyl] N-naphthalen-1-ylcarbamate Traditional Name: N-(1-naphthyl)carbamic acid [(1R)-4-hydroxy-1-(2-hydroxy-5-iodo-phenyl)butyl] ester Formula: C21H20INO4 MolecularWeight: 477.29227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)OC(CCCO)C3=C(C=CC(=C3)I)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)O[C@H](CCCO)C3=C(C=CC(=C3)I)O

InChI

InChI=1S/C21H20INO4/c22-15-10-11-19(25)17(13-15)20(9-4-12-24)27-21(26)23-18-8-3-6-14-5-1-2-7-16(14)18/h1-3,5-8,10-11,13,20,24-25H,4,9,12H2,(H,23,26)/t20-/m1/s1