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

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-(5-methylheptan-3-ylamino)benzoate Openeye Name: methyl 5-[(1-ethyl-3-methyl-pentyl)amino]-2,4-difluoro-benzoate CAS Name: 2,4-difluoro-5-(5-methylheptan-3-ylamino)benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-(5-methylheptan-3-ylamino)benzoate Traditional Name: 5-[(1-ethyl-3-methyl-pentyl)amino]-2,4-difluoro-benzoic acid methyl ester Formula: C16H23F2NO2 MolecularWeight: 299.356126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23F2NO2/c1-5-10(3)7-11(6-2)19-15-8-12(16(20)21-4)13(17)9-14(15)18/h8-11,19H,5-7H2,1-4H3