1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[[3-(3-pyridyl)isoxazol-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[[3-(3-pyridinyl)-5-isoxazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[[3-(3-pyridyl)isoxazol-5-yl]methyl]isonipecotic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=NO2)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=NO2)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C20H25N3O5/c1-19(2,3)27-18(26)23-9-6-20(7-10-23,17(24)25)12-15-11-16(22-28-15)14-5-4-8-21-13-14/h4-5,8,11,13H,6-7,9-10,12H2,1-3H3,(H,24,25)