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

Systemtic Name: [(1R)-1-(5-bromanyl-2-oxidanyl-phenyl)-4-oxidanyl-butyl] N-(4-cyanophenyl)carbamate Openeye Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)-4-hydroxy-butyl] N-(4-cyanophenyl)carbamate CAS Name: N-(4-cyanophenyl)carbamic acid [(1R)-1-(5-bromo-2-hydroxyphenyl)-4-hydroxybutyl] ester IUPAC Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)-4-hydroxybutyl] N-(4-cyanophenyl)carbamate Traditional Name: N-(4-cyanophenyl)carbamic acid [(1R)-1-(5-bromo-2-hydroxy-phenyl)-4-hydroxy-butyl] ester Formula: C18H17BrN2O4 MolecularWeight: 405.24258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)OC(CCCO)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)O[C@H](CCCO)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C18H17BrN2O4/c19-13-5-8-16(23)15(10-13)17(2-1-9-22)25-18(24)21-14-6-3-12(11-20)4-7-14/h3-8,10,17,22-23H,1-2,9H2,(H,21,24)/t17-/m1/s1