methyl 4-fluoranyl-3-(5-methylheptan-3-ylamino)benzoate

Systemtic Name: methyl 4-fluoranyl-3-(5-methylheptan-3-ylamino)benzoate Openeye Name: methyl 3-[(1-ethyl-3-methyl-pentyl)amino]-4-fluoro-benzoate CAS Name: 4-fluoro-3-(5-methylheptan-3-ylamino)benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-(5-methylheptan-3-ylamino)benzoate Traditional Name: 3-[(1-ethyl-3-methyl-pentyl)amino]-4-fluoro-benzoic acid methyl ester Formula: C16H24FNO2 MolecularWeight: 281.365663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24FNO2/c1-5-11(3)9-13(6-2)18-15-10-12(16(19)20-4)7-8-14(15)17/h7-8,10-11,13,18H,5-6,9H2,1-4H3