[(1S)-1-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-4-oxidanyl-butyl] N-phenylcarbamate

Systemtic Name: [(1S)-1-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-4-oxidanyl-butyl] N-phenylcarbamate Openeye Name: [(1S)-1-(3,5-dibromo-2-hydroxy-phenyl)-4-hydroxy-butyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [(1S)-1-(3,5-dibromo-2-hydroxyphenyl)-4-hydroxybutyl] ester IUPAC Name: [(1S)-1-(3,5-dibromo-2-hydroxyphenyl)-4-hydroxybutyl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [(1S)-1-(3,5-dibromo-2-hydroxy-phenyl)-4-hydroxy-butyl] ester Formula: C17H17Br2NO4 MolecularWeight: 459.12918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)OC(CCCO)C2=CC(=CC(=C2O)Br)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)O[C@@H](CCCO)C2=CC(=CC(=C2O)Br)Br

InChI

InChI=1S/C17H17Br2NO4/c18-11-9-13(16(22)14(19)10-11)15(7-4-8-21)24-17(23)20-12-5-2-1-3-6-12/h1-3,5-6,9-10,15,21-22H,4,7-8H2,(H,20,23)/t15-/m0/s1