6-[3-(3-hydroxyphenyl)piperidin-3-yl]-1-pyrimidin-2-yl-2H-pyridine-3-carboxylic acid

Systemtic Name: 6-[3-(3-hydroxyphenyl)piperidin-3-yl]-1-pyrimidin-2-yl-2H-pyridine-3-carboxylic acid Openeye Name: 6-[3-(3-hydroxyphenyl)-3-piperidyl]-1-pyrimidin-2-yl-2H-pyridine-3-carboxylic acid CAS Name: 6-[3-(3-hydroxyphenyl)-3-piperidinyl]-1-(2-pyrimidinyl)-2H-pyridine-3-carboxylic acid IUPAC Name: 6-[3-(3-hydroxyphenyl)piperidin-3-yl]-1-pyrimidin-2-yl-2H-pyridine-3-carboxylic acid Traditional Name: 6-[3-(3-hydroxyphenyl)-3-piperidyl]-1-(2-pyrimidyl)-2H-pyridine-3-carboxylic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(C2=CC(=CC=C2)O)C3=CC=C(CN3C4=NC=CC=N4)C(=O)O

Isomeric SMILES

C1CC(CNC1)(C2=CC(=CC=C2)O)C3=CC=C(CN3C4=NC=CC=N4)C(=O)O

InChI

InChI=1S/C21H22N4O3/c26-17-5-1-4-16(12-17)21(8-2-9-22-14-21)18-7-6-15(19(27)28)13-25(18)20-23-10-3-11-24-20/h1,3-7,10-12,22,26H,2,8-9,13-14H2,(H,27,28)