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

Systemtic Name: tert-butyl [3-[[3-ethanoyl-4-(methoxymethoxy)phenyl]carbonylamino]-4-phenylmethoxy-azepan-1-yl] carbonate Openeye Name: [3-[[3-acetyl-4-(methoxymethoxy)benzoyl]amino]-4-benzyloxy-azepan-1-yl] tert-butyl carbonate CAS Name: carbonic acid [3-[[[3-acetyl-4-(methoxymethoxy)phenyl]-oxomethyl]amino]-4-phenylmethoxy-1-azepanyl] tert-butyl ester IUPAC Name: [3-[[3-acetyl-4-(methoxymethoxy)benzoyl]amino]-4-phenylmethoxyazepan-1-yl] tert-butyl carbonate Traditional Name: carbonic acid [3-[[3-acetyl-4-(methoxymethoxy)benzoyl]amino]-4-benzoxy-azepan-1-yl] tert-butyl ester Formula: C29H38N2O8 MolecularWeight: 542.62062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O8/c1-20(32)23-16-22(13-14-25(23)37-19-35-5)27(33)30-24-17-31(39-28(34)38-29(2,3)4)15-9-12-26(24)36-18-21-10-7-6-8-11-21/h6-8,10-11,13-14,16,24,26H,9,12,15,17-19H2,1-5H3,(H,30,33)