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

Systemtic Name: methyl 2-(2-pyridin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate Openeye Name: methyl 2-[2-(4-pyridyl)ethyl]-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate CAS Name: 2-(2-pyridin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-(2-pyridin-4-ylethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate Traditional Name: 2-[2-(4-pyridyl)ethyl]-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid methyl ester Formula: C20H16F3NO3 MolecularWeight: 375.34115

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC(=C1)C2=CC=C(C=C2)C(F)(F)F)CCC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=C(OC(=C1)C2=CC=C(C=C2)C(F)(F)F)CCC3=CC=NC=C3

InChI

InChI=1S/C20H16F3NO3/c1-26-19(25)16-12-18(14-3-5-15(6-4-14)20(21,22)23)27-17(16)7-2-13-8-10-24-11-9-13/h3-6,8-12H,2,7H2,1H3