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

Systemtic Name: 2-[4-(3-hydroxyphenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-hydroxyphenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-hydroxyphenyl)-1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-hydroxyphenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-hydroxyphenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C21H18F3N5O3 MolecularWeight: 445.39453

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N5O3/c22-21(23,24)16-4-7-25-19(28-16)29-8-5-20(6-9-29,14-2-1-3-15(30)10-14)18-26-11-13(12-27-18)17(31)32/h1-4,7,10-12,30H,5-6,8-9H2,(H,31,32)