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

Systemtic Name: [(1S,2S)-1-(3-fluoranyl-4-oxidanyl-phenyl)-2-methoxy-4-oxidanyl-butyl] N-(4-ethanoylphenyl)carbamate Openeye Name: [(1S,2S)-1-(3-fluoro-4-hydroxy-phenyl)-4-hydroxy-2-methoxy-butyl] N-(4-acetylphenyl)carbamate CAS Name: N-(4-acetylphenyl)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-acetylphenyl)carbamate Traditional Name: N-(4-acetylphenyl)carbamic acid [(1S,2S)-1-(3-fluoro-4-hydroxy-phenyl)-4-hydroxy-2-methoxy-butyl] ester Formula: C20H22FNO6 MolecularWeight: 391.390183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)OC(C2=CC(=C(C=C2)O)F)C(CCO)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)O[C@@H](C2=CC(=C(C=C2)O)F)[C@H](CCO)OC

InChI

InChI=1S/C20H22FNO6/c1-12(24)13-3-6-15(7-4-13)22-20(26)28-19(18(27-2)9-10-23)14-5-8-17(25)16(21)11-14/h3-8,11,18-19,23,25H,9-10H2,1-2H3,(H,22,26)/t18-,19-/m0/s1