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

Systemtic Name: methyl 4-fluoranyl-3-(octan-2-ylamino)benzoate Openeye Name: methyl 4-fluoro-3-(1-methylheptylamino)benzoate CAS Name: 4-fluoro-3-(octan-2-ylamino)benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-(octan-2-ylamino)benzoate Traditional Name: 4-fluoro-3-(1-methylheptylamino)benzoic acid methyl ester Formula: C16H24FNO2 MolecularWeight: 281.365663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24FNO2/c1-4-5-6-7-8-12(2)18-15-11-13(16(19)20-3)9-10-14(15)17/h9-12,18H,4-8H2,1-3H3