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

Systemtic Name: tert-butyl [3-[(3,5-diethoxyphenyl)carbonylamino]-4-oxidanyl-azepan-1-yl] carbonate Openeye Name: tert-butyl [3-[(3,5-diethoxybenzoyl)amino]-4-hydroxy-azepan-1-yl] carbonate CAS Name: carbonic acid tert-butyl [3-[[(3,5-diethoxyphenyl)-oxomethyl]amino]-4-hydroxy-1-azepanyl] ester IUPAC Name: tert-butyl [3-[(3,5-diethoxybenzoyl)amino]-4-hydroxyazepan-1-yl] carbonate Traditional Name: carbonic acid tert-butyl [3-[(3,5-diethoxybenzoyl)amino]-4-hydroxy-azepan-1-yl] ester Formula: C22H34N2O7 MolecularWeight: 438.51456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC2CN(CCCC2O)OC(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC2CN(CCCC2O)OC(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C22H34N2O7/c1-6-28-16-11-15(12-17(13-16)29-7-2)20(26)23-18-14-24(10-8-9-19(18)25)31-21(27)30-22(3,4)5/h11-13,18-19,25H,6-10,14H2,1-5H3,(H,23,26)