methyl 2-(1-azanyl-3-fluoranyl-hexadecan-4-yl)benzoate

Systemtic Name: methyl 2-(1-azanyl-3-fluoranyl-hexadecan-4-yl)benzoate Openeye Name: methyl 2-[1-(3-amino-1-fluoro-propyl)tridecyl]benzoate CAS Name: 2-(1-amino-3-fluorohexadecan-4-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(1-amino-3-fluorohexadecan-4-yl)benzoate Traditional Name: 2-[1-(3-amino-1-fluoro-propyl)tridecyl]benzoic acid methyl ester Formula: C24H40FNO2 MolecularWeight: 393.578303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=CC=CC=C1C(=O)OC)C(CCN)F

Isomeric SMILES

CCCCCCCCCCCCC(C1=CC=CC=C1C(=O)OC)C(CCN)F

InChI

InChI=1S/C24H40FNO2/c1-3-4-5-6-7-8-9-10-11-12-16-21(23(25)18-19-26)20-15-13-14-17-22(20)24(27)28-2/h13-15,17,21,23H,3-12,16,18-19,26H2,1-2H3