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

Systemtic Name: [(1S)-1-(4-methoxy-3-oxidanyl-phenyl)-4-oxidanyl-butyl] N-(4-bromophenyl)carbamate Openeye Name: [(1S)-4-hydroxy-1-(3-hydroxy-4-methoxy-phenyl)butyl] N-(4-bromophenyl)carbamate CAS Name: N-(4-bromophenyl)carbamic acid [(1S)-4-hydroxy-1-(3-hydroxy-4-methoxyphenyl)butyl] ester IUPAC Name: [(1S)-4-hydroxy-1-(3-hydroxy-4-methoxyphenyl)butyl] N-(4-bromophenyl)carbamate Traditional Name: N-(4-bromophenyl)carbamic acid [(1S)-4-hydroxy-1-(3-hydroxy-4-methoxy-phenyl)butyl] ester Formula: C18H20BrNO5 MolecularWeight: 410.2591

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCO)OC(=O)NC2=CC=C(C=C2)Br)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CCCO)OC(=O)NC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C18H20BrNO5/c1-24-17-9-4-12(11-15(17)22)16(3-2-10-21)25-18(23)20-14-7-5-13(19)6-8-14/h4-9,11,16,21-22H,2-3,10H2,1H3,(H,20,23)/t16-/m0/s1