3-[4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]-3-[4,4,4-tris(fluoranyl)butoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]-3-[4,4,4-tris(fluoranyl)butoxy]phenyl]propanoic acid Openeye Name: 3-[4-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]-3-(4,4,4-trifluorobutoxy)phenyl]propanoic acid CAS Name: 3-[4-[6-[[(heptylamino)-oxomethyl]-methylamino]-2-pyridinyl]-3-(4,4,4-trifluorobutoxy)phenyl]propanoic acid IUPAC Name: 3-[4-[6-[heptylcarbamoyl(methyl)amino]pyridin-2-yl]-3-(4,4,4-trifluorobutoxy)phenyl]propanoic acid Traditional Name: 3-[4-[6-[heptylcarbamoyl(methyl)amino]-2-pyridyl]-3-(4,4,4-trifluorobutoxy)phenyl]propionic acid Formula: C27H36F3N3O4 MolecularWeight: 523.58765

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=CC(=N1)C2=C(C=C(C=C2)CCC(=O)O)OCCCC(F)(F)F

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=CC(=N1)C2=C(C=C(C=C2)CCC(=O)O)OCCCC(F)(F)F

InChI

InChI=1S/C27H36F3N3O4/c1-3-4-5-6-7-17-31-26(36)33(2)24-11-8-10-22(32-24)21-14-12-20(13-15-25(34)35)19-23(21)37-18-9-16-27(28,29)30/h8,10-12,14,19H,3-7,9,13,15-18H2,1-2H3,(H,31,36)(H,34,35)