1-(1,2-oxazol-5-ylcarbonyl)-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(1,2-oxazol-5-ylcarbonyl)-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-(isoxazole-5-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[5-isoxazolyl(oxo)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-(isoxazole-5-carbonyl)isonipecotic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC=NO3

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC=NO3

InChI

InChI=1S/C17H18N2O4/c20-15(14-6-9-18-23-14)19-10-7-17(8-11-19,16(21)22)12-13-4-2-1-3-5-13/h1-6,9H,7-8,10-12H2,(H,21,22)