[(1S,2S)-1-(5-bromanyl-2-oxidanyl-phenyl)-2-ethoxy-4-oxidanyl-butyl] N-(4-cyanophenyl)carbamate

Systemtic Name: [(1S,2S)-1-(5-bromanyl-2-oxidanyl-phenyl)-2-ethoxy-4-oxidanyl-butyl] N-(4-cyanophenyl)carbamate Openeye Name: [(1S,2S)-1-(5-bromo-2-hydroxy-phenyl)-2-ethoxy-4-hydroxy-butyl] N-(4-cyanophenyl)carbamate CAS Name: N-(4-cyanophenyl)carbamic acid [(1S,2S)-1-(5-bromo-2-hydroxyphenyl)-2-ethoxy-4-hydroxybutyl] ester IUPAC Name: [(1S,2S)-1-(5-bromo-2-hydroxyphenyl)-2-ethoxy-4-hydroxybutyl] N-(4-cyanophenyl)carbamate Traditional Name: N-(4-cyanophenyl)carbamic acid [(1S,2S)-1-(5-bromo-2-hydroxy-phenyl)-2-ethoxy-4-hydroxy-butyl] ester Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O5/c1-2-27-18(9-10-24)19(16-11-14(21)5-8-17(16)25)28-20(26)23-15-6-3-13(12-22)4-7-15/h3-8,11,18-19,24-25H,2,9-10H2,1H3,(H,23,26)/t18-,19-/m0/s1