[(1S,2S)-1-(3-fluoranyl-4-oxidanyl-phenyl)-2-methoxy-4-oxidanyl-butyl] N-(4-bromophenyl)carbamate

Systemtic Name: [(1S,2S)-1-(3-fluoranyl-4-oxidanyl-phenyl)-2-methoxy-4-oxidanyl-butyl] N-(4-bromophenyl)carbamate Openeye Name: [(1S,2S)-1-(3-fluoro-4-hydroxy-phenyl)-4-hydroxy-2-methoxy-butyl] N-(4-bromophenyl)carbamate CAS Name: N-(4-bromophenyl)carbamic acid [(1S,2S)-1-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-2-methoxybutyl] ester IUPAC Name: [(1S,2S)-1-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-2-methoxybutyl] N-(4-bromophenyl)carbamate Traditional Name: N-(4-bromophenyl)carbamic acid [(1S,2S)-1-(3-fluoro-4-hydroxy-phenyl)-4-hydroxy-2-methoxy-butyl] ester Formula: C18H19BrFNO5 MolecularWeight: 428.249563

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCO)C(C1=CC(=C(C=C1)O)F)OC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrFNO5/c1-25-16(8-9-22)17(11-2-7-15(23)14(20)10-11)26-18(24)21-13-5-3-12(19)4-6-13/h2-7,10,16-17,22-23H,8-9H2,1H3,(H,21,24)/t16-,17-/m0/s1