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

Systemtic Name: (phenylmethyl) 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidin-1-yl]piperidine-1-carboxylate Openeye Name: benzyl 3-[3-(tert-butoxycarbonylamino)azetidin-1-yl]piperidine-1-carboxylate CAS Name: 3-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-azetidinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidin-1-yl]piperidine-1-carboxylate Traditional Name: 3-[3-(tert-butoxycarbonylamino)azetidin-1-yl]piperidine-1-carboxylic acid benzyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C1)C2CCCN(C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C1)C2CCCN(C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O4/c1-21(2,3)28-19(25)22-17-12-24(13-17)18-10-7-11-23(14-18)20(26)27-15-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3,(H,22,25)