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

Systemtic Name: methyl 4-fluoranyl-3-(2-methylpentan-3-ylamino)benzoate Openeye Name: methyl 3-[(1-ethyl-2-methyl-propyl)amino]-4-fluoro-benzoate CAS Name: 4-fluoro-3-(2-methylpentan-3-ylamino)benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-(2-methylpentan-3-ylamino)benzoate Traditional Name: 3-[(1-ethyl-2-methyl-propyl)amino]-4-fluoro-benzoic acid methyl ester Formula: C14H20FNO2 MolecularWeight: 253.312503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20FNO2/c1-5-12(9(2)3)16-13-8-10(14(17)18-4)6-7-11(13)15/h6-9,12,16H,5H2,1-4H3