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

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[[3-(4-pyridyl)-4,5-dihydroisoxazol-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[(3-pyridin-4-yl-4,5-dihydroisoxazol-5-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[[3-(4-pyridyl)-2-isoxazolin-5-yl]methyl]isonipecotic acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C20H27N3O5/c1-19(2,3)27-18(26)23-10-6-20(7-11-23,17(24)25)13-15-12-16(22-28-15)14-4-8-21-9-5-14/h4-5,8-9,15H,6-7,10-13H2,1-3H3,(H,24,25)