methyl 3-(butan-2-ylamino)-4-fluoranyl-benzoate

Systemtic Name: methyl 3-(butan-2-ylamino)-4-fluoranyl-benzoate Openeye Name: methyl 4-fluoro-3-(sec-butylamino)benzoate CAS Name: 3-(butan-2-ylamino)-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-(butan-2-ylamino)-4-fluorobenzoate Traditional Name: 4-fluoro-3-(sec-butylamino)benzoic acid methyl ester Formula: C12H16FNO2 MolecularWeight: 225.259343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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