[6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-azepan-3-yl] phenethyl carbonate

Systemtic Name: [6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-azepan-3-yl] phenethyl carbonate Openeye Name: [6-(tert-butoxycarbonylamino)-7-oxo-azepan-3-yl] phenethyl carbonate CAS Name: carbonic acid [6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-3-azepanyl] phenethyl ester IUPAC Name: [6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoazepan-3-yl] phenethyl carbonate Traditional Name: carbonic acid [6-(tert-butoxycarbonylamino)-7-keto-azepan-3-yl] phenethyl ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CNC1=O)OC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC(CNC1=O)OC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O6/c1-20(2,3)28-18(24)22-16-10-9-15(13-21-17(16)23)27-19(25)26-12-11-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3,(H,21,23)(H,22,24)