[4-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]butanoylamino] 3-oxidanylidenepentanoate

Systemtic Name: [4-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]butanoylamino] 3-oxidanylidenepentanoate Openeye Name: [4-[2-methyl-5-[4-(trifluoromethyl)phenyl]-3-furyl]butanoylamino] 3-oxopentanoate CAS Name: 3-oxopentanoic acid [[4-[2-methyl-5-[4-(trifluoromethyl)phenyl]-3-furanyl]-1-oxobutyl]amino] ester IUPAC Name: [4-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]butanoylamino] 3-oxopentanoate Traditional Name: 3-ketovaleric acid [4-[2-methyl-5-[4-(trifluoromethyl)phenyl]-3-furyl]butanoylamino] ester Formula: C21H22F3NO5 MolecularWeight: 425.39829

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(=O)ONC(=O)CCCC1=C(OC(=C1)C2=CC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CCC(=O)CC(=O)ONC(=O)CCCC1=C(OC(=C1)C2=CC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C21H22F3NO5/c1-3-17(26)12-20(28)30-25-19(27)6-4-5-15-11-18(29-13(15)2)14-7-9-16(10-8-14)21(22,23)24/h7-11H,3-6,12H2,1-2H3,(H,25,27)