3-fluoranyl-4-(hexadecylamino)benzoic acid

Systemtic Name: 3-fluoranyl-4-(hexadecylamino)benzoic acid Openeye Name: 3-fluoro-4-(hexadecylamino)benzoic acid CAS Name: 3-fluoro-4-(hexadecylamino)benzoic acid IUPAC Name: 3-fluoro-4-(hexadecylamino)benzoic acid Traditional Name: 4-(cetylamino)-3-fluoro-benzoic acid Formula: C23H38FNO2 MolecularWeight: 379.551723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)O)F

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)O)F

InChI

InChI=1S/C23H38FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-17-16-20(23(26)27)19-21(22)24/h16-17,19,25H,2-15,18H2,1H3,(H,26,27)