methyl 2-fluoranyl-5-(3-methylbutylamino)benzoate

Systemtic Name: methyl 2-fluoranyl-5-(3-methylbutylamino)benzoate Openeye Name: methyl 2-fluoro-5-(isopentylamino)benzoate CAS Name: 2-fluoro-5-(3-methylbutylamino)benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-5-(3-methylbutylamino)benzoate Traditional Name: 2-fluoro-5-(isoamylamino)benzoic acid methyl ester Formula: C13H18FNO2 MolecularWeight: 239.285923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=CC(=C(C=C1)F)C(=O)OC

Isomeric SMILES

CC(C)CCNC1=CC(=C(C=C1)F)C(=O)OC

InChI

InChI=1S/C13H18FNO2/c1-9(2)6-7-15-10-4-5-12(14)11(8-10)13(16)17-3/h4-5,8-9,15H,6-7H2,1-3H3