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

Systemtic Name: [3-[[3-butan-2-yl-4-(methoxymethoxy)phenyl]carbonylamino]-4-phenylmethoxy-azepan-1-yl] tert-butyl carbonate Openeye Name: [4-benzyloxy-3-[[4-(methoxymethoxy)-3-sec-butyl-benzoyl]amino]azepan-1-yl] tert-butyl carbonate CAS Name: carbonic acid [3-[[[3-butan-2-yl-4-(methoxymethoxy)phenyl]-oxomethyl]amino]-4-phenylmethoxy-1-azepanyl] tert-butyl ester IUPAC Name: [3-[[3-butan-2-yl-4-(methoxymethoxy)benzoyl]amino]-4-phenylmethoxyazepan-1-yl] tert-butyl carbonate Traditional Name: carbonic acid [4-benzoxy-3-[[4-(methoxymethoxy)-3-sec-butyl-benzoyl]amino]azepan-1-yl] tert-butyl ester Formula: C31H44N2O7 MolecularWeight: 556.69026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N2O7/c1-7-22(2)25-18-24(15-16-27(25)38-21-36-6)29(34)32-26-19-33(40-30(35)39-31(3,4)5)17-11-14-28(26)37-20-23-12-9-8-10-13-23/h8-10,12-13,15-16,18,22,26,28H,7,11,14,17,19-21H2,1-6H3,(H,32,34)