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

Systemtic Name: 2-[4-(3-hydroxyphenyl)-1-pyridin-2-yl-piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-hydroxyphenyl)-1-(2-pyridyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-hydroxyphenyl)-1-(2-pyridinyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-hydroxyphenyl)-1-pyridin-2-ylpiperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-hydroxyphenyl)-1-(2-pyridyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C21H20N4O3 MolecularWeight: 376.4085

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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=CC=CC=N4

Isomeric SMILES

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

InChI

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