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

Systemtic Name: 2-[1-butyl-4-(3-hydroxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[1-butyl-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[1-butyl-4-(3-hydroxyphenyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[1-butyl-4-(3-hydroxyphenyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[1-butyl-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O

Isomeric SMILES

CCCCN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C20H25N3O3/c1-2-3-9-23-10-7-20(8-11-23,16-5-4-6-17(24)12-16)19-21-13-15(14-22-19)18(25)26/h4-6,12-14,24H,2-3,7-11H2,1H3,(H,25,26)