3-[(2R,5S)-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]carbonyl-4-pyrimidin-2-yl-benzoic acid

Systemtic Name: 3-[(2R,5S)-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]carbonyl-4-pyrimidin-2-yl-benzoic acid Openeye Name: 3-[(2R,5S)-5-[(5-fluoro-2-pyridyl)oxymethyl]-2-methyl-piperidine-1-carbonyl]-4-pyrimidin-2-yl-benzoic acid CAS Name: 3-[[(2R,5S)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methyl-1-piperidinyl]-oxomethyl]-4-(2-pyrimidinyl)benzoic acid IUPAC Name: 3-[(2R,5S)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidine-1-carbonyl]-4-pyrimidin-2-ylbenzoic acid Traditional Name: 3-[(2R,5S)-5-[(5-fluoro-2-pyridyl)oxymethyl]-2-methyl-piperidine-1-carbonyl]-4-(2-pyrimidyl)benzoic acid Formula: C24H23FN4O4 MolecularWeight: 450.462223

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CN1C(=O)C2=C(C=CC(=C2)C(=O)O)C3=NC=CC=N3)COC4=NC=C(C=C4)F

Isomeric SMILES

C[C@@H]1CC[C@@H](CN1C(=O)C2=C(C=CC(=C2)C(=O)O)C3=NC=CC=N3)COC4=NC=C(C=C4)F

InChI

InChI=1S/C24H23FN4O4/c1-15-3-4-16(14-33-21-8-6-18(25)12-28-21)13-29(15)23(30)20-11-17(24(31)32)5-7-19(20)22-26-9-2-10-27-22/h2,5-12,15-16H,3-4,13-14H2,1H3,(H,31,32)/t15-,16+/m1/s1