methyl 3-(butylamino)-4-fluoranyl-benzoate

Systemtic Name: methyl 3-(butylamino)-4-fluoranyl-benzoate Openeye Name: methyl 3-(butylamino)-4-fluoro-benzoate CAS Name: 3-(butylamino)-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-(butylamino)-4-fluorobenzoate Traditional Name: 3-(butylamino)-4-fluoro-benzoic acid methyl ester Formula: C12H16FNO2 MolecularWeight: 225.259343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=CC(=C1)C(=O)OC)F

Isomeric SMILES

CCCCNC1=C(C=CC(=C1)C(=O)OC)F

InChI

InChI=1S/C12H16FNO2/c1-3-4-7-14-11-8-9(12(15)16-2)5-6-10(11)13/h5-6,8,14H,3-4,7H2,1-2H3