methyl 2-[[4-oxidanylidene-5-pyridin-4-yl-3-[3-(trifluoromethyl)phenyl]furan-2-yl]amino]butanoate

Systemtic Name: methyl 2-[[4-oxidanylidene-5-pyridin-4-yl-3-[3-(trifluoromethyl)phenyl]furan-2-yl]amino]butanoate Openeye Name: methyl 2-[[4-oxo-5-(4-pyridyl)-3-[3-(trifluoromethyl)phenyl]-2-furyl]amino]butanoate CAS Name: 2-[[4-oxo-5-pyridin-4-yl-3-[3-(trifluoromethyl)phenyl]-2-furanyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[4-oxo-5-pyridin-4-yl-3-[3-(trifluoromethyl)phenyl]furan-2-yl]amino]butanoate Traditional Name: 2-[[4-keto-5-(4-pyridyl)-3-[3-(trifluoromethyl)phenyl]-2-furyl]amino]butyric acid methyl ester Formula: C21H19F3N2O4 MolecularWeight: 420.38177

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)NC1=C(C(=O)C(O1)C2=CC=NC=C2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCC(C(=O)OC)NC1=C(C(=O)C(O1)C2=CC=NC=C2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O4/c1-3-15(20(28)29-2)26-19-16(13-5-4-6-14(11-13)21(22,23)24)17(27)18(30-19)12-7-9-25-10-8-12/h4-11,15,18,26H,3H2,1-2H3