2-[1-(5-fluoranylpyrimidin-2-yl)-4-(3-hydroxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[1-(5-fluoranylpyrimidin-2-yl)-4-(3-hydroxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[1-(5-fluoropyrimidin-2-yl)-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[1-(5-fluoro-2-pyrimidinyl)-4-(3-hydroxyphenyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[1-(5-fluoropyrimidin-2-yl)-4-(3-hydroxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[1-(5-fluoropyrimidin-2-yl)-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C20H18FN5O3 MolecularWeight: 395.387023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)C4=NC=C(C=N4)F

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)C4=NC=C(C=N4)F

InChI

InChI=1S/C20H18FN5O3/c21-15-11-24-19(25-12-15)26-6-4-20(5-7-26,14-2-1-3-16(27)8-14)18-22-9-13(10-23-18)17(28)29/h1-3,8-12,27H,4-7H2,(H,28,29)