(phenylmethyl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: benzyl 6-(tert-butoxycarbonylamino)-5-oxo-1,4-diazepane-1-carboxylate CAS Name: 6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-1,4-diazepane-1-carboxylate Traditional Name: 6-(tert-butoxycarbonylamino)-5-keto-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(CCNC1=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(CCNC1=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O5/c1-18(2,3)26-16(23)20-14-11-21(10-9-19-15(14)22)17(24)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,22)(H,20,23)