(phenylmethyl) 4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-[[4-(tert-butoxycarbonylamino)phenyl]methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]methyl]-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[4-(tert-butoxycarbonylamino)benzyl]-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CN2CCN(CC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CN2CCN(CC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O5/c1-24(2,3)32-22(29)25-20-11-9-18(10-12-20)15-26-13-14-27(16-21(26)28)23(30)31-17-19-7-5-4-6-8-19/h4-12H,13-17H2,1-3H3,(H,25,29)