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

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C20H20FNO4 MolecularWeight: 357.375503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C20H20FNO4/c1-13(2)11-19(24)22-15-9-7-14(8-10-15)18(23)12-26-20(25)16-5-3-4-6-17(16)21/h3-10,13H,11-12H2,1-2H3,(H,22,24)