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

Systemtic Name: [(1S,2S)-1-(5-iodanyl-2-oxidanyl-phenyl)-2-methoxy-4-oxidanyl-butyl] N-naphthalen-1-ylcarbamate Openeye Name: [(1S,2S)-4-hydroxy-1-(2-hydroxy-5-iodo-phenyl)-2-methoxy-butyl] N-(1-naphthyl)carbamate CAS Name: N-(1-naphthalenyl)carbamic acid [(1S,2S)-4-hydroxy-1-(2-hydroxy-5-iodophenyl)-2-methoxybutyl] ester IUPAC Name: [(1S,2S)-4-hydroxy-1-(2-hydroxy-5-iodophenyl)-2-methoxybutyl] N-naphthalen-1-ylcarbamate Traditional Name: N-(1-naphthyl)carbamic acid [(1S,2S)-4-hydroxy-1-(2-hydroxy-5-iodo-phenyl)-2-methoxy-butyl] ester Formula: C22H22INO5 MolecularWeight: 507.31825

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCO)C(C1=C(C=CC(=C1)I)O)OC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CO[C@@H](CCO)[C@H](C1=C(C=CC(=C1)I)O)OC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H22INO5/c1-28-20(11-12-25)21(17-13-15(23)9-10-19(17)26)29-22(27)24-18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13,20-21,25-26H,11-12H2,1H3,(H,24,27)/t20-,21-/m0/s1