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

Systemtic Name: 3-butyl-5-[phenylmethoxy-[4-(trifluoromethyl)phenyl]methyl]-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[benzyloxy-[4-(trifluoromethyl)phenyl]methyl]-3-butyl-4H-isoxazole-5-carboxylic acid CAS Name: 3-butyl-5-[phenylmethoxy-[4-(trifluoromethyl)phenyl]methyl]-4H-isoxazole-5-carboxylic acid IUPAC Name: 3-butyl-5-[phenylmethoxy-[4-(trifluoromethyl)phenyl]methyl]-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[benzoxy-[4-(trifluoromethyl)phenyl]methyl]-3-butyl-2-isoxazoline-5-carboxylic acid Formula: C23H24F3NO4 MolecularWeight: 435.43617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(C1)(C(C2=CC=C(C=C2)C(F)(F)F)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NOC(C1)(C(C2=CC=C(C=C2)C(F)(F)F)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H24F3NO4/c1-2-3-9-19-14-22(21(28)29,31-27-19)20(30-15-16-7-5-4-6-8-16)17-10-12-18(13-11-17)23(24,25)26/h4-8,10-13,20H,2-3,9,14-15H2,1H3,(H,28,29)