methyl 5-(4-azanylbutanoylamino)-2-fluoranyl-benzoate

Systemtic Name: methyl 5-(4-azanylbutanoylamino)-2-fluoranyl-benzoate Openeye Name: methyl 5-(4-aminobutanoylamino)-2-fluoro-benzoate CAS Name: 5-[(4-amino-1-oxobutyl)amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-(4-aminobutanoylamino)-2-fluorobenzoate Traditional Name: 5-(4-aminobutanoylamino)-2-fluoro-benzoic acid methyl ester Formula: C12H15FN2O3 MolecularWeight: 254.257503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CCCN)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CCCN)F

InChI

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