tert-butyl [3-[[3,5-dimethoxy-4-(methoxymethoxy)phenyl]carbonylamino]-4-phenylmethoxy-azepan-1-yl] carbonate

Systemtic Name: tert-butyl [3-[[3,5-dimethoxy-4-(methoxymethoxy)phenyl]carbonylamino]-4-phenylmethoxy-azepan-1-yl] carbonate Openeye Name: [4-benzyloxy-3-[[3,5-dimethoxy-4-(methoxymethoxy)benzoyl]amino]azepan-1-yl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-[[[3,5-dimethoxy-4-(methoxymethoxy)phenyl]-oxomethyl]amino]-4-phenylmethoxy-1-azepanyl] ester IUPAC Name: tert-butyl [3-[[3,5-dimethoxy-4-(methoxymethoxy)benzoyl]amino]-4-phenylmethoxyazepan-1-yl] carbonate Traditional Name: carbonic acid [4-benzoxy-3-[[3,5-dimethoxy-4-(methoxymethoxy)benzoyl]amino]azepan-1-yl] tert-butyl ester Formula: C29H40N2O9 MolecularWeight: 560.6359

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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)OC)OCOC)OC)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O9/c1-29(2,3)39-28(33)40-31-14-10-13-23(37-18-20-11-8-7-9-12-20)22(17-31)30-27(32)21-15-24(35-5)26(38-19-34-4)25(16-21)36-6/h7-9,11-12,15-16,22-23H,10,13-14,17-19H2,1-6H3,(H,30,32)