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

Systemtic Name: tert-butyl [3-[(3,5-diethoxyphenyl)carbonylamino]-4-phenylmethoxy-azepan-1-yl] carbonate Openeye Name: [4-benzyloxy-3-[(3,5-diethoxybenzoyl)amino]azepan-1-yl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-[[(3,5-diethoxyphenyl)-oxomethyl]amino]-4-phenylmethoxy-1-azepanyl] ester IUPAC Name: tert-butyl [3-[(3,5-diethoxybenzoyl)amino]-4-phenylmethoxyazepan-1-yl] carbonate Traditional Name: carbonic acid [4-benzoxy-3-[(3,5-diethoxybenzoyl)amino]azepan-1-yl] tert-butyl ester Formula: C29H40N2O7 MolecularWeight: 528.6371

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC2CN(CCCC2OCC3=CC=CC=C3)OC(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC2CN(CCCC2OCC3=CC=CC=C3)OC(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C29H40N2O7/c1-6-34-23-16-22(17-24(18-23)35-7-2)27(32)30-25-19-31(38-28(33)37-29(3,4)5)15-11-14-26(25)36-20-21-12-9-8-10-13-21/h8-10,12-13,16-18,25-26H,6-7,11,14-15,19-20H2,1-5H3,(H,30,32)