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

Systemtic Name: tert-butyl [3-[[3-ethanoyl-4-(methoxymethoxy)phenyl]carbonylamino]-4-oxidanyl-azepan-1-yl] carbonate Openeye Name: [3-[[3-acetyl-4-(methoxymethoxy)benzoyl]amino]-4-hydroxy-azepan-1-yl] tert-butyl carbonate CAS Name: carbonic acid [3-[[[3-acetyl-4-(methoxymethoxy)phenyl]-oxomethyl]amino]-4-hydroxy-1-azepanyl] tert-butyl ester IUPAC Name: [3-[[3-acetyl-4-(methoxymethoxy)benzoyl]amino]-4-hydroxyazepan-1-yl] tert-butyl carbonate Traditional Name: carbonic acid [3-[[3-acetyl-4-(methoxymethoxy)benzoyl]amino]-4-hydroxy-azepan-1-yl] tert-butyl ester Formula: C22H32N2O8 MolecularWeight: 452.49808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O8/c1-14(25)16-11-15(8-9-19(16)30-13-29-5)20(27)23-17-12-24(10-6-7-18(17)26)32-21(28)31-22(2,3)4/h8-9,11,17-18,26H,6-7,10,12-13H2,1-5H3,(H,23,27)