tert-butyl [3-[[4-(methoxymethoxy)-2,3,6-trimethyl-phenyl]carbonylamino]-4-phenylmethoxy-azepan-1-yl] carbonate

Systemtic Name: tert-butyl [3-[[4-(methoxymethoxy)-2,3,6-trimethyl-phenyl]carbonylamino]-4-phenylmethoxy-azepan-1-yl] carbonate Openeye Name: [4-benzyloxy-3-[[4-(methoxymethoxy)-2,3,6-trimethyl-benzoyl]amino]azepan-1-yl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-[[[4-(methoxymethoxy)-2,3,6-trimethylphenyl]-oxomethyl]amino]-4-phenylmethoxy-1-azepanyl] ester IUPAC Name: tert-butyl [3-[[4-(methoxymethoxy)-2,3,6-trimethylbenzoyl]amino]-4-phenylmethoxyazepan-1-yl] carbonate Traditional Name: carbonic acid [4-benzoxy-3-[[4-(methoxymethoxy)-2,3,6-trimethyl-benzoyl]amino]azepan-1-yl] tert-butyl ester Formula: C30H42N2O7 MolecularWeight: 542.66368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)NC2CN(CCCC2OCC3=CC=CC=C3)OC(=O)OC(C)(C)C)C)C)OCOC

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)NC2CN(CCCC2OCC3=CC=CC=C3)OC(=O)OC(C)(C)C)C)C)OCOC

InChI

InChI=1S/C30H42N2O7/c1-20-16-26(37-19-35-7)21(2)22(3)27(20)28(33)31-24-17-32(39-29(34)38-30(4,5)6)15-11-14-25(24)36-18-23-12-9-8-10-13-23/h8-10,12-13,16,24-25H,11,14-15,17-19H2,1-7H3,(H,31,33)