(phenylmethyl) 3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]azetidin-1-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]azetidin-1-yl]piperidine-1-carboxylate Openeye Name: benzyl 3-[3-[(tert-butoxycarbonylamino)methyl]azetidin-1-yl]piperidine-1-carboxylate CAS Name: 3-[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-azetidinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]azetidin-1-yl]piperidine-1-carboxylate Traditional Name: 3-[3-[(tert-butoxycarbonylamino)methyl]azetidin-1-yl]piperidine-1-carboxylic acid benzyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CN(C1)C2CCCN(C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CN(C1)C2CCCN(C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O4/c1-22(2,3)29-20(26)23-12-18-13-25(14-18)19-10-7-11-24(15-19)21(27)28-16-17-8-5-4-6-9-17/h4-6,8-9,18-19H,7,10-16H2,1-3H3,(H,23,26)