tert-butyl [3-[(3-tert-butyl-4-oxidanyl-phenyl)carbonylamino]-4-oxidanyl-azepan-1-yl] carbonate

Systemtic Name: tert-butyl [3-[(3-tert-butyl-4-oxidanyl-phenyl)carbonylamino]-4-oxidanyl-azepan-1-yl] carbonate Openeye Name: tert-butyl [3-[(3-tert-butyl-4-hydroxy-benzoyl)amino]-4-hydroxy-azepan-1-yl] carbonate CAS Name: carbonic acid tert-butyl [3-[[(3-tert-butyl-4-hydroxyphenyl)-oxomethyl]amino]-4-hydroxy-1-azepanyl] ester IUPAC Name: tert-butyl [3-[(3-tert-butyl-4-hydroxybenzoyl)amino]-4-hydroxyazepan-1-yl] carbonate Traditional Name: carbonic acid tert-butyl [3-[(3-tert-butyl-4-hydroxy-benzoyl)amino]-4-hydroxy-azepan-1-yl] ester Formula: C22H34N2O6 MolecularWeight: 422.51516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(=O)NC2CN(CCCC2O)OC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(=O)NC2CN(CCCC2O)OC(=O)OC(C)(C)C)O

InChI

InChI=1S/C22H34N2O6/c1-21(2,3)15-12-14(9-10-17(15)25)19(27)23-16-13-24(11-7-8-18(16)26)30-20(28)29-22(4,5)6/h9-10,12,16,18,25-26H,7-8,11,13H2,1-6H3,(H,23,27)