1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-nitrophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-nitrophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(4-nitrophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[(4-nitrophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-nitrophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(4-nitrobenzyl)isonipecotic acid Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H24N2O6/c1-17(2,3)26-16(23)19-10-8-18(9-11-19,15(21)22)12-13-4-6-14(7-5-13)20(24)25/h4-7H,8-12H2,1-3H3,(H,21,22)