2-fluoranyl-5-[methyl-[3-(4-octadecoxyphenyl)propanoyl]amino]benzoic acid

Systemtic Name: 2-fluoranyl-5-[methyl-[3-(4-octadecoxyphenyl)propanoyl]amino]benzoic acid Openeye Name: 2-fluoro-5-[methyl-[3-(4-octadecoxyphenyl)propanoyl]amino]benzoic acid CAS Name: 2-fluoro-5-[methyl-[3-(4-octadecoxyphenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-fluoro-5-[methyl-[3-(4-octadecoxyphenyl)propanoyl]amino]benzoic acid Traditional Name: 2-fluoro-5-[methyl-[3-(4-stearyloxyphenyl)propanoyl]amino]benzoic acid Formula: C35H52FNO4 MolecularWeight: 569.790083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)N(C)C2=CC(=C(C=C2)F)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)N(C)C2=CC(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C35H52FNO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-41-31-23-19-29(20-24-31)21-26-34(38)37(2)30-22-25-33(36)32(28-30)35(39)40/h19-20,22-25,28H,3-18,21,26-27H2,1-2H3,(H,39,40)