1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl]-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 1-[[3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl]-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxylic acid Traditional Name: 1-[[3-(4-methoxyphenyl)-2-isoxazolin-5-yl]methyl]-5-phenyl-pyrazole-3-carboxylic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(C2)CN3C(=CC(=N3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(C2)CN3C(=CC(=N3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4/c1-27-16-9-7-14(8-10-16)18-11-17(28-23-18)13-24-20(12-19(22-24)21(25)26)15-5-3-2-4-6-15/h2-10,12,17H,11,13H2,1H3,(H,25,26)