[2-[(5-fluoranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(5-fluoranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(5-fluoro-2-methyl-anilino)-2-oxo-ethyl] 4-(3-ethoxy-4-hydroxy-phenyl)-4-oxo-butanoate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid [2-(5-fluoro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-4-keto-butyric acid [2-(5-fluoro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22FNO6 MolecularWeight: 403.400883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)F)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)F)C)O

InChI

InChI=1S/C21H22FNO6/c1-3-28-19-10-14(5-7-18(19)25)17(24)8-9-21(27)29-12-20(26)23-16-11-15(22)6-4-13(16)2/h4-7,10-11,25H,3,8-9,12H2,1-2H3,(H,23,26)