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

Systemtic Name: tert-butyl [3-[(3-tert-butyl-4-oxidanyl-phenyl)carbonylamino]-4-phenylmethoxy-azepan-1-yl] carbonate Openeye Name: [4-benzyloxy-3-[(3-tert-butyl-4-hydroxy-benzoyl)amino]azepan-1-yl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-[[(3-tert-butyl-4-hydroxyphenyl)-oxomethyl]amino]-4-phenylmethoxy-1-azepanyl] ester IUPAC Name: tert-butyl [3-[(3-tert-butyl-4-hydroxybenzoyl)amino]-4-phenylmethoxyazepan-1-yl] carbonate Traditional Name: carbonic acid [4-benzoxy-3-[(3-tert-butyl-4-hydroxy-benzoyl)amino]azepan-1-yl] tert-butyl ester Formula: C29H40N2O6 MolecularWeight: 512.6377

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(=O)NC2CN(CCCC2OCC3=CC=CC=C3)OC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(=O)NC2CN(CCCC2OCC3=CC=CC=C3)OC(=O)OC(C)(C)C)O

InChI

InChI=1S/C29H40N2O6/c1-28(2,3)22-17-21(14-15-24(22)32)26(33)30-23-18-31(37-27(34)36-29(4,5)6)16-10-13-25(23)35-19-20-11-8-7-9-12-20/h7-9,11-12,14-15,17,23,25,32H,10,13,16,18-19H2,1-6H3,(H,30,33)