3-ethyl-5-[phenylmethoxy-[4-(trifluoromethyl)phenyl]methyl]-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 3-ethyl-5-[phenylmethoxy-[4-(trifluoromethyl)phenyl]methyl]-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[benzyloxy-[4-(trifluoromethyl)phenyl]methyl]-3-ethyl-4H-isoxazole-5-carboxylic acid CAS Name: 3-ethyl-5-[phenylmethoxy-[4-(trifluoromethyl)phenyl]methyl]-4H-isoxazole-5-carboxylic acid IUPAC Name: 3-ethyl-5-[phenylmethoxy-[4-(trifluoromethyl)phenyl]methyl]-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[benzoxy-[4-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-isoxazoline-5-carboxylic acid Formula: C21H20F3NO4 MolecularWeight: 407.38301

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(C1)(C(C2=CC=C(C=C2)C(F)(F)F)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=NOC(C1)(C(C2=CC=C(C=C2)C(F)(F)F)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20F3NO4/c1-2-17-12-20(19(26)27,29-25-17)18(28-13-14-6-4-3-5-7-14)15-8-10-16(11-9-15)21(22,23)24/h3-11,18H,2,12-13H2,1H3,(H,26,27)