[(1R,2S)-1-(4-methoxy-3-oxidanyl-phenyl)-2-methyl-4-oxidanyl-butyl] N-(4-cyanophenyl)carbamate

Systemtic Name: [(1R,2S)-1-(4-methoxy-3-oxidanyl-phenyl)-2-methyl-4-oxidanyl-butyl] N-(4-cyanophenyl)carbamate Openeye Name: [(1R,2S)-4-hydroxy-1-(3-hydroxy-4-methoxy-phenyl)-2-methyl-butyl] N-(4-cyanophenyl)carbamate CAS Name: N-(4-cyanophenyl)carbamic acid [(1R,2S)-4-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2-methylbutyl] ester IUPAC Name: [(1R,2S)-4-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2-methylbutyl] N-(4-cyanophenyl)carbamate Traditional Name: N-(4-cyanophenyl)carbamic acid [(1R,2S)-4-hydroxy-1-(3-hydroxy-4-methoxy-phenyl)-2-methyl-butyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)C(C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H](CCO)[C@H](C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H22N2O5/c1-13(9-10-23)19(15-5-8-18(26-2)17(24)11-15)27-20(25)22-16-6-3-14(12-21)4-7-16/h3-8,11,13,19,23-24H,9-10H2,1-2H3,(H,22,25)/t13-,19+/m0/s1