[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 2-(3-fluoro-4-methoxy-phenyl)acetate CAS Name: 2-(3-fluoro-4-methoxyphenyl)acetic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)acetic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C21H22FNO5 MolecularWeight: 387.401483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H22FNO5/c1-3-4-20(25)23-16-8-6-15(7-9-16)18(24)13-28-21(26)12-14-5-10-19(27-2)17(22)11-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,25)