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

Systemtic Name: methyl 5-bromanyl-3-fluoranyl-2-(3-methylbutylamino)benzoate Openeye Name: methyl 5-bromo-3-fluoro-2-(isopentylamino)benzoate CAS Name: 5-bromo-3-fluoro-2-(3-methylbutylamino)benzoic acid methyl ester IUPAC Name: methyl 5-bromo-3-fluoro-2-(3-methylbutylamino)benzoate Traditional Name: 5-bromo-3-fluoro-2-(isoamylamino)benzoic acid methyl ester Formula: C13H17BrFNO2 MolecularWeight: 318.181983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C(C=C1C(=O)OC)Br)F

Isomeric SMILES

CC(C)CCNC1=C(C=C(C=C1C(=O)OC)Br)F

InChI

InChI=1S/C13H17BrFNO2/c1-8(2)4-5-16-12-10(13(17)18-3)6-9(14)7-11(12)15/h6-8,16H,4-5H2,1-3H3