4-[3-(1-hydroxyethyl)phenyl]-2-[1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 4-[3-(1-hydroxyethyl)phenyl]-2-[1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 4-[3-(1-hydroxyethyl)phenyl]-2-[1-(2-methylpentyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 4-[3-(1-hydroxyethyl)phenyl]-2-[1-(2-methylpentyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 4-[3-(1-hydroxyethyl)phenyl]-2-[1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 4-[3-(1-hydroxyethyl)phenyl]-2-[1-(2-methylpentyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CN1CCC(CC1)C2=NC=C(C(=N2)C3=CC(=CC=C3)C(C)O)C(=O)O

Isomeric SMILES

CCCC(C)CN1CCC(CC1)C2=NC=C(C(=N2)C3=CC(=CC=C3)C(C)O)C(=O)O

InChI

InChI=1S/C24H33N3O3/c1-4-6-16(2)15-27-11-9-18(10-12-27)23-25-14-21(24(29)30)22(26-23)20-8-5-7-19(13-20)17(3)28/h5,7-8,13-14,16-18,28H,4,6,9-12,15H2,1-3H3,(H,29,30)