3-[3-fluoranyl-4-[3-[[methyl(octanoyl)amino]methyl]phenyl]phenyl]propanoic acid

Systemtic Name: 3-[3-fluoranyl-4-[3-[[methyl(octanoyl)amino]methyl]phenyl]phenyl]propanoic acid Openeye Name: 3-[3-fluoro-4-[3-[[methyl(octanoyl)amino]methyl]phenyl]phenyl]propanoic acid CAS Name: 3-[3-fluoro-4-[3-[[methyl(1-oxooctyl)amino]methyl]phenyl]phenyl]propanoic acid IUPAC Name: 3-[3-fluoro-4-[3-[[methyl(octanoyl)amino]methyl]phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[[caprylyl(methyl)amino]methyl]phenyl]-3-fluoro-phenyl]propionic acid Formula: C25H32FNO3 MolecularWeight: 413.524883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(C)CC1=CC=CC(=C1)C2=C(C=C(C=C2)CCC(=O)O)F

Isomeric SMILES

CCCCCCCC(=O)N(C)CC1=CC=CC(=C1)C2=C(C=C(C=C2)CCC(=O)O)F

InChI

InChI=1S/C25H32FNO3/c1-3-4-5-6-7-11-24(28)27(2)18-20-9-8-10-21(16-20)22-14-12-19(17-23(22)26)13-15-25(29)30/h8-10,12,14,16-17H,3-7,11,13,15,18H2,1-2H3,(H,29,30)