(3S)-5,5-bis(fluoranyl)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid

Systemtic Name: (3S)-5,5-bis(fluoranyl)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid Openeye Name: (3S)-5,5-difluoro-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid CAS Name: (3S)-5,5-difluoro-3-(2-methyl-5-pyrimidinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid IUPAC Name: (3S)-5,5-difluoro-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid Traditional Name: (3S)-5,5-difluoro-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pelargonic acid Formula: C22H28F2N4O2 MolecularWeight: 418.480126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C(CC(=O)O)CC(CCCCC2=NC3=C(CCCN3)C=C2)(F)F

Isomeric SMILES

CC1=NC=C(C=N1)[C@@H](CC(=O)O)CC(CCCCC2=NC3=C(CCCN3)C=C2)(F)F

InChI

InChI=1S/C22H28F2N4O2/c1-15-26-13-18(14-27-15)17(11-20(29)30)12-22(23,24)9-3-2-6-19-8-7-16-5-4-10-25-21(16)28-19/h7-8,13-14,17H,2-6,9-12H2,1H3,(H,25,28)(H,29,30)/t17-/m0/s1