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

Systemtic Name: 2-[4-(3-hydroxyphenyl)-1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-hydroxyphenyl)-1-(1H-imidazol-2-ylmethyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-hydroxyphenyl)-1-(1H-imidazol-2-ylmethyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-hydroxyphenyl)-1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-hydroxyphenyl)-1-(1H-imidazol-2-ylmethyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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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)CC4=NC=CN4

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)CC4=NC=CN4

InChI

InChI=1S/C20H21N5O3/c26-16-3-1-2-15(10-16)20(19-23-11-14(12-24-19)18(27)28)4-8-25(9-5-20)13-17-21-6-7-22-17/h1-3,6-7,10-12,26H,4-5,8-9,13H2,(H,21,22)(H,27,28)