methyl 2,4-bis(fluoranyl)-5-(3-methylbutylamino)benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-(3-methylbutylamino)benzoate Openeye Name: methyl 2,4-difluoro-5-(isopentylamino)benzoate CAS Name: 2,4-difluoro-5-(3-methylbutylamino)benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-(3-methylbutylamino)benzoate Traditional Name: 2,4-difluoro-5-(isoamylamino)benzoic acid methyl ester Formula: C13H17F2NO2 MolecularWeight: 257.276386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17F2NO2/c1-8(2)4-5-16-12-6-9(13(17)18-3)10(14)7-11(12)15/h6-8,16H,4-5H2,1-3H3