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

Systemtic Name: tert-butyl [3-[(3,5-dimethylphenyl)carbonylamino]-4-phenylmethoxy-azepan-1-yl] carbonate Openeye Name: [4-benzyloxy-3-[(3,5-dimethylbenzoyl)amino]azepan-1-yl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-[[(3,5-dimethylphenyl)-oxomethyl]amino]-4-phenylmethoxy-1-azepanyl] ester IUPAC Name: tert-butyl [3-[(3,5-dimethylbenzoyl)amino]-4-phenylmethoxyazepan-1-yl] carbonate Traditional Name: carbonic acid [4-benzoxy-3-[(3,5-dimethylbenzoyl)amino]azepan-1-yl] tert-butyl ester Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC2CN(CCCC2OCC3=CC=CC=C3)OC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2CN(CCCC2OCC3=CC=CC=C3)OC(=O)OC(C)(C)C)C

InChI

InChI=1S/C27H36N2O5/c1-19-14-20(2)16-22(15-19)25(30)28-23-17-29(34-26(31)33-27(3,4)5)13-9-12-24(23)32-18-21-10-7-6-8-11-21/h6-8,10-11,14-16,23-24H,9,12-13,17-18H2,1-5H3,(H,28,30)