1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(3-nitrophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(3-nitrophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-3-[(3-nitrophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-[(3-nitrophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(3-nitrophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-3-(3-nitrobenzyl)nipecotic acid Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

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