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

Systemtic Name: tert-butyl [3-[[4-(methoxymethoxy)phenyl]carbonylamino]-4-phenylmethoxy-azepan-1-yl] carbonate Openeye Name: [4-benzyloxy-3-[[4-(methoxymethoxy)benzoyl]amino]azepan-1-yl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-[[[4-(methoxymethoxy)phenyl]-oxomethyl]amino]-4-phenylmethoxy-1-azepanyl] ester IUPAC Name: tert-butyl [3-[[4-(methoxymethoxy)benzoyl]amino]-4-phenylmethoxyazepan-1-yl] carbonate Traditional Name: carbonic acid [4-benzoxy-3-[[4-(methoxymethoxy)benzoyl]amino]azepan-1-yl] tert-butyl ester Formula: C27H36N2O7 MolecularWeight: 500.58394

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCCC(C(C1)NC(=O)C2=CC=C(C=C2)OCOC)OCC3=CC=CC=C3

InChI

InChI=1S/C27H36N2O7/c1-27(2,3)35-26(31)36-29-16-8-11-24(33-18-20-9-6-5-7-10-20)23(17-29)28-25(30)21-12-14-22(15-13-21)34-19-32-4/h5-7,9-10,12-15,23-24H,8,11,16-19H2,1-4H3,(H,28,30)