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

Systemtic Name: 5-[phenylmethoxy-[4-(trifluoromethyl)phenyl]methyl]-3-propyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[benzyloxy-[4-(trifluoromethyl)phenyl]methyl]-3-propyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[phenylmethoxy-[4-(trifluoromethyl)phenyl]methyl]-3-propyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[phenylmethoxy-[4-(trifluoromethyl)phenyl]methyl]-3-propyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[benzoxy-[4-(trifluoromethyl)phenyl]methyl]-3-propyl-2-isoxazoline-5-carboxylic acid Formula: C22H22F3NO4 MolecularWeight: 421.40959

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(C1)(C(C2=CC=C(C=C2)C(F)(F)F)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=NOC(C1)(C(C2=CC=C(C=C2)C(F)(F)F)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H22F3NO4/c1-2-6-18-13-21(20(27)28,30-26-18)19(29-14-15-7-4-3-5-8-15)16-9-11-17(12-10-16)22(23,24)25/h3-5,7-12,19H,2,6,13-14H2,1H3,(H,27,28)