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

Systemtic Name: [3-[[3-bromanyl-4-(methoxymethoxy)phenyl]carbonylamino]-4-oxidanyl-azepan-1-yl] tert-butyl carbonate Openeye Name: [3-[[3-bromo-4-(methoxymethoxy)benzoyl]amino]-4-hydroxy-azepan-1-yl] tert-butyl carbonate CAS Name: carbonic acid [3-[[[3-bromo-4-(methoxymethoxy)phenyl]-oxomethyl]amino]-4-hydroxy-1-azepanyl] tert-butyl ester IUPAC Name: [3-[[3-bromo-4-(methoxymethoxy)benzoyl]amino]-4-hydroxyazepan-1-yl] tert-butyl carbonate Traditional Name: carbonic acid [3-[[3-bromo-4-(methoxymethoxy)benzoyl]amino]-4-hydroxy-azepan-1-yl] tert-butyl ester Formula: C20H29BrN2O7 MolecularWeight: 489.35746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)ON1CCCC(C(C1)NC(=O)C2=CC(=C(C=C2)OCOC)Br)O

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCCC(C(C1)NC(=O)C2=CC(=C(C=C2)OCOC)Br)O

InChI

InChI=1S/C20H29BrN2O7/c1-20(2,3)29-19(26)30-23-9-5-6-16(24)15(11-23)22-18(25)13-7-8-17(14(21)10-13)28-12-27-4/h7-8,10,15-16,24H,5-6,9,11-12H2,1-4H3,(H,22,25)