[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(3-fluoranylphenoxy)ethanoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(3-fluoranylphenoxy)ethanoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 2-(3-fluorophenoxy)acetate CAS Name: 2-(3-fluorophenoxy)acetic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-(3-fluorophenoxy)acetate Traditional Name: 2-(3-fluorophenoxy)acetic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C21H22FNO5 MolecularWeight: 387.401483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)COC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)COC2=CC(=CC=C2)F

InChI

InChI=1S/C21H22FNO5/c1-14(2)10-20(25)23-17-8-6-15(7-9-17)19(24)12-28-21(26)13-27-18-5-3-4-16(22)11-18/h3-9,11,14H,10,12-13H2,1-2H3,(H,23,25)