[1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylphenoxy)butanoate

Systemtic Name: [1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylphenoxy)butanoate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 4-(4-acetylphenoxy)butanoate CAS Name: 4-(4-acetylphenoxy)butanoic acid [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate Traditional Name: 4-(4-acetylphenoxy)butyric acid [2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClFNO5 MolecularWeight: 421.846543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)CCCOC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)CCCOC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C21H21ClFNO5/c1-13(25)15-5-8-17(9-6-15)28-11-3-4-20(26)29-14(2)21(27)24-19-10-7-16(23)12-18(19)22/h5-10,12,14H,3-4,11H2,1-2H3,(H,24,27)