[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)butanoic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H21ClFNO4 MolecularWeight: 405.847143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C21H21ClFNO4/c1-2-3-14-4-6-15(7-5-14)19(25)10-11-21(27)28-13-20(26)24-16-8-9-18(23)17(22)12-16/h4-9,12H,2-3,10-11,13H2,1H3,(H,24,26)