3-[5-(hydroxymethyl)-3-(phenylmethyl)-4H-1,2-oxazol-5-yl]propanoic acid

Systemtic Name: 3-[5-(hydroxymethyl)-3-(phenylmethyl)-4H-1,2-oxazol-5-yl]propanoic acid Openeye Name: 3-[3-benzyl-5-(hydroxymethyl)-4H-isoxazol-5-yl]propanoic acid CAS Name: 3-[5-(hydroxymethyl)-3-(phenylmethyl)-4H-isoxazol-5-yl]propanoic acid IUPAC Name: 3-[3-benzyl-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]propanoic acid Traditional Name: 3-(3-benzyl-5-methylol-2-isoxazolin-5-yl)propionic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CCC(=O)O)CO)CC2=CC=CC=C2

Isomeric SMILES

C1C(=NOC1(CCC(=O)O)CO)CC2=CC=CC=C2

InChI

InChI=1S/C14H17NO4/c16-10-14(7-6-13(17)18)9-12(15-19-14)8-11-4-2-1-3-5-11/h1-5,16H,6-10H2,(H,17,18)