tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxidanylidene-6-phenyl-azepan-3-yl)carbamate

Systemtic Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxidanylidene-6-phenyl-azepan-3-yl)carbamate Openeye Name: tert-butyl N-tert-butoxycarbonyl-N-(2-oxo-6-phenyl-azepan-3-yl)carbamate CAS Name: N-[(2-methylpropan-2-yl)oxy-oxomethyl]-N-(2-oxo-6-phenyl-3-azepanyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-6-phenylazepan-3-yl)carbamate Traditional Name: N-tert-butoxycarbonyl-N-(2-keto-6-phenyl-azepan-3-yl)carbamic acid tert-butyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1CCC(CNC1=O)C2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1CCC(CNC1=O)C2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N2O5/c1-21(2,3)28-19(26)24(20(27)29-22(4,5)6)17-13-12-16(14-23-18(17)25)15-10-8-7-9-11-15/h7-11,16-17H,12-14H2,1-6H3,(H,23,25)