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

Systemtic Name: 2-[1-(5-fluoranylpyrimidin-2-yl)-4-(3-methoxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[1-(5-fluoropyrimidin-2-yl)-4-(3-methoxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[1-(5-fluoro-2-pyrimidinyl)-4-(3-methoxyphenyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[1-(5-fluoropyrimidin-2-yl)-4-(3-methoxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[1-(5-fluoropyrimidin-2-yl)-4-(3-methoxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C21H20FN5O3 MolecularWeight: 409.413603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=C(C=N3)F)C4=NC=C(C=N4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=C(C=N3)F)C4=NC=C(C=N4)C(=O)O

InChI

InChI=1S/C21H20FN5O3/c1-30-17-4-2-3-15(9-17)21(19-23-10-14(11-24-19)18(28)29)5-7-27(8-6-21)20-25-12-16(22)13-26-20/h2-4,9-13H,5-8H2,1H3,(H,28,29)