1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-(5-methyl-3-phenyl-isoxazole-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-(5-methyl-3-phenyl-isoxazole-4-carbonyl)isonipecotic acid Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCC(CC3)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCC(CC3)(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H24N2O4/c1-17-20(21(25-30-17)19-10-6-3-7-11-19)22(27)26-14-12-24(13-15-26,23(28)29)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3,(H,28,29)