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

Systemtic Name: 2-[4-(3-hydroxyphenyl)-1-pentyl-piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-hydroxyphenyl)-1-pentyl-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-hydroxyphenyl)-1-pentyl-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-hydroxyphenyl)-1-pentylpiperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[1-amyl-4-(3-hydroxyphenyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O

Isomeric SMILES

CCCCCN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C21H27N3O3/c1-2-3-4-10-24-11-8-21(9-12-24,17-6-5-7-18(25)13-17)20-22-14-16(15-23-20)19(26)27/h5-7,13-15,25H,2-4,8-12H2,1H3,(H,26,27)