(phenylmethyl) 2-(4-fluoranyl-2-methyl-phenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-fluoranyl-2-methyl-phenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate Openeye Name: benzyl 4-(tert-butoxycarbonylamino)-2-(4-fluoro-2-methyl-phenyl)piperidine-1-carboxylate CAS Name: 2-(4-fluoro-2-methylphenyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-fluoro-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate Traditional Name: 4-(tert-butoxycarbonylamino)-2-(4-fluoro-2-methyl-phenyl)piperidine-1-carboxylic acid benzyl ester Formula: C25H31FN2O4 MolecularWeight: 442.523043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CC(CCN2C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2CC(CCN2C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H31FN2O4/c1-17-14-19(26)10-11-21(17)22-15-20(27-23(29)32-25(2,3)4)12-13-28(22)24(30)31-16-18-8-6-5-7-9-18/h5-11,14,20,22H,12-13,15-16H2,1-4H3,(H,27,29)