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

Systemtic Name: 2-[4-(3-hydroxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-hydroxyphenyl)-1-pyrimidin-2-yl-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-hydroxyphenyl)-1-(2-pyrimidinyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-hydroxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-hydroxyphenyl)-1-(2-pyrimidyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C20H19N5O3 MolecularWeight: 377.39656

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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=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3/c26-16-4-1-3-15(11-16)20(18-23-12-14(13-24-18)17(27)28)5-9-25(10-6-20)19-21-7-2-8-22-19/h1-4,7-8,11-13,26H,5-6,9-10H2,(H,27,28)