(phenylmethyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethyl)pyrrolidine-1-carboxylate Openeye Name: benzyl 3-(tert-butoxycarbonylamino)-4-(trifluoromethyl)pyrrolidine-1-carboxylate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(trifluoromethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethyl)pyrrolidine-1-carboxylate Traditional Name: 3-(tert-butoxycarbonylamino)-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C18H23F3N2O4 MolecularWeight: 388.38143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(CC1C(F)(F)F)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(CC1C(F)(F)F)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H23F3N2O4/c1-17(2,3)27-15(24)22-14-10-23(9-13(14)18(19,20)21)16(25)26-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,22,24)