3-[5-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]propanoic acid

Systemtic Name: 3-[5-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]propanoic acid Openeye Name: 3-[5-[(4-hydroxy-3-methoxy-phenyl)methyl]-4,5-dihydroisoxazol-3-yl]propanoic acid CAS Name: 3-[5-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dihydroisoxazol-3-yl]propanoic acid IUPAC Name: 3-[5-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]propanoic acid Traditional Name: 3-(5-vanillyl-2-isoxazolin-3-yl)propionic acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2CC(=NO2)CCC(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC2CC(=NO2)CCC(=O)O)O

InChI

InChI=1S/C14H17NO5/c1-19-13-7-9(2-4-12(13)16)6-11-8-10(15-20-11)3-5-14(17)18/h2,4,7,11,16H,3,5-6,8H2,1H3,(H,17,18)