[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate

Systemtic Name: [2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: [2-(2,4-difluoroanilino)-2-oxo-ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid [2-(2,4-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-difluoroanilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid [2-(2,4-difluoroanilino)-2-keto-ethyl] ester Formula: C21H21F2NO5 MolecularWeight: 405.391946

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C21H21F2NO5/c1-2-11-28-16-6-3-14(4-7-16)19(25)9-10-21(27)29-13-20(26)24-18-8-5-15(22)12-17(18)23/h3-8,12H,2,9-11,13H2,1H3,(H,24,26)