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

Systemtic Name: 2-[4-(3-hydroxyphenyl)-1-(3,5,5-trimethylhexyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-hydroxyphenyl)-1-(3,5,5-trimethylhexyl)-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-hydroxyphenyl)-1-(3,5,5-trimethylhexyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-hydroxyphenyl)-1-(3,5,5-trimethylhexyl)piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-hydroxyphenyl)-1-(3,5,5-trimethylhexyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CCN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)O)CC(C)(C)C

InChI

InChI=1S/C25H35N3O3/c1-18(15-24(2,3)4)8-11-28-12-9-25(10-13-28,20-6-5-7-21(29)14-20)23-26-16-19(17-27-23)22(30)31/h5-7,14,16-18,29H,8-13,15H2,1-4H3,(H,30,31)