methyl 2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate

Systemtic Name: methyl 2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate Openeye Name: methyl 2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate CAS Name: 2-butyl-5-[4-(trifluoromethyl)phenyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate Traditional Name: 2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid methyl ester Formula: C17H17F3O3 MolecularWeight: 326.31029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(O1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CCCCC1=C(C=C(O1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H17F3O3/c1-3-4-5-14-13(16(21)22-2)10-15(23-14)11-6-8-12(9-7-11)17(18,19)20/h6-10H,3-5H2,1-2H3