[3-fluoranyl-5-(2-methylpropanoyloxy)phenyl] 4-(2-methylpropanoylamino)benzoate

Systemtic Name: [3-fluoranyl-5-(2-methylpropanoyloxy)phenyl] 4-(2-methylpropanoylamino)benzoate Openeye Name: [3-fluoro-5-(2-methylpropanoyloxy)phenyl] 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [3-fluoro-5-(2-methyl-1-oxopropoxy)phenyl] ester IUPAC Name: [3-fluoro-5-(2-methylpropanoyloxy)phenyl] 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (3-fluoro-5-isobutyryloxy-phenyl) ester Formula: C21H22FNO5 MolecularWeight: 387.401483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)F)OC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)F)OC(=O)C(C)C

InChI

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