(phenylmethyl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-dihydroisoindole-2-carboxylate Openeye Name: benzyl 4-[(tert-butoxycarbonylamino)methyl]isoindoline-2-carboxylate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1,3-dihydroisoindole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-dihydroisoindole-2-carboxylate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]isoindoline-2-carboxylic acid benzyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=CC2=C1CN(C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=CC2=C1CN(C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4/c1-22(2,3)28-20(25)23-12-17-10-7-11-18-13-24(14-19(17)18)21(26)27-15-16-8-5-4-6-9-16/h4-11H,12-15H2,1-3H3,(H,23,25)