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

Systemtic Name: 6-[3-(3-hydroxyphenyl)-1-pyrimidin-2-yl-piperidin-3-yl]pyridine-3-carboxylic acid Openeye Name: 6-[3-(3-hydroxyphenyl)-1-pyrimidin-2-yl-3-piperidyl]pyridine-3-carboxylic acid CAS Name: 6-[3-(3-hydroxyphenyl)-1-(2-pyrimidinyl)-3-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-(3-hydroxyphenyl)-1-pyrimidin-2-ylpiperidin-3-yl]pyridine-3-carboxylic acid Traditional Name: 6-[3-(3-hydroxyphenyl)-1-(2-pyrimidyl)-3-piperidyl]nicotinic acid Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)(C3=CC(=CC=C3)O)C4=NC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=NC=CC=N2)(C3=CC(=CC=C3)O)C4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H20N4O3/c26-17-5-1-4-16(12-17)21(18-7-6-15(13-24-18)19(27)28)8-2-11-25(14-21)20-22-9-3-10-23-20/h1,3-7,9-10,12-13,26H,2,8,11,14H2,(H,27,28)