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

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[(3-phenyl-2-isoxazolin-5-yl)methyl]isonipecotic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5/c1-20(2,3)27-19(26)23-11-9-21(10-12-23,18(24)25)14-16-13-17(22-28-16)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,24,25)