methyl 3-(2-azanylbutanoylamino)-4-fluoranyl-benzoate

Systemtic Name: methyl 3-(2-azanylbutanoylamino)-4-fluoranyl-benzoate Openeye Name: methyl 3-(2-aminobutanoylamino)-4-fluoro-benzoate CAS Name: 3-[(2-amino-1-oxobutyl)amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-(2-aminobutanoylamino)-4-fluorobenzoate Traditional Name: 3-(2-aminobutanoylamino)-4-fluoro-benzoic acid methyl ester Formula: C12H15FN2O3 MolecularWeight: 254.257503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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