3-fluoranyl-4-(octadecylamino)benzoic acid

Systemtic Name: 3-fluoranyl-4-(octadecylamino)benzoic acid Openeye Name: 3-fluoro-4-(octadecylamino)benzoic acid CAS Name: 3-fluoro-4-(octadecylamino)benzoic acid IUPAC Name: 3-fluoro-4-(octadecylamino)benzoic acid Traditional Name: 3-fluoro-4-(stearylamino)benzoic acid Formula: C25H42FNO2 MolecularWeight: 407.604883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)O)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)O)F

InChI

InChI=1S/C25H42FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-24-19-18-22(25(28)29)21-23(24)26/h18-19,21,27H,2-17,20H2,1H3,(H,28,29)