methyl 5-(2-azanylbutanoylamino)-2-fluoranyl-benzoate

Systemtic Name: methyl 5-(2-azanylbutanoylamino)-2-fluoranyl-benzoate Openeye Name: methyl 5-(2-aminobutanoylamino)-2-fluoro-benzoate CAS Name: 5-[(2-amino-1-oxobutyl)amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-(2-aminobutanoylamino)-2-fluorobenzoate Traditional Name: 5-(2-aminobutanoylamino)-2-fluoro-benzoic acid methyl ester Formula: C12H15FN2O3 MolecularWeight: 254.257503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)F)C(=O)OC)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)F)C(=O)OC)N

InChI

InChI=1S/C12H15FN2O3/c1-3-10(14)11(16)15-7-4-5-9(13)8(6-7)12(17)18-2/h4-6,10H,3,14H2,1-2H3,(H,15,16)