[(1S)-1-(4-methoxy-3-oxidanyl-phenyl)-2,2-dimethyl-4-oxidanyl-butyl] N-(1,3-benzodioxol-5-yl)carbamate

Systemtic Name: [(1S)-1-(4-methoxy-3-oxidanyl-phenyl)-2,2-dimethyl-4-oxidanyl-butyl] N-(1,3-benzodioxol-5-yl)carbamate Openeye Name: [(1S)-4-hydroxy-1-(3-hydroxy-4-methoxy-phenyl)-2,2-dimethyl-butyl] N-(1,3-benzodioxol-5-yl)carbamate CAS Name: N-(1,3-benzodioxol-5-yl)carbamic acid [(1S)-4-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2,2-dimethylbutyl] ester IUPAC Name: [(1S)-4-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2,2-dimethylbutyl] N-(1,3-benzodioxol-5-yl)carbamate Traditional Name: N-(1,3-benzodioxol-5-yl)carbamic acid [(1S)-4-hydroxy-1-(3-hydroxy-4-methoxy-phenyl)-2,2-dimethyl-butyl] ester Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCO)C(C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(CCO)[C@@H](C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H25NO7/c1-21(2,8-9-23)19(13-4-6-16(26-3)15(24)10-13)29-20(25)22-14-5-7-17-18(11-14)28-12-27-17/h4-7,10-11,19,23-24H,8-9,12H2,1-3H3,(H,22,25)/t19-/m1/s1