6-[3-(3-hydroxyphenyl)-1-(2-methylbutyl)piperidin-3-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[3-(3-hydroxyphenyl)-1-(2-methylbutyl)piperidin-3-yl]pyridine-3-carboxylic acid Openeye Name: 6-[3-(3-hydroxyphenyl)-1-(2-methylbutyl)-3-piperidyl]pyridine-3-carboxylic acid CAS Name: 6-[3-(3-hydroxyphenyl)-1-(2-methylbutyl)-3-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-(3-hydroxyphenyl)-1-(2-methylbutyl)piperidin-3-yl]pyridine-3-carboxylic acid Traditional Name: 6-[3-(3-hydroxyphenyl)-1-(2-methylbutyl)-3-piperidyl]nicotinic acid Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1CCCC(C1)(C2=CC(=CC=C2)O)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCC(C)CN1CCCC(C1)(C2=CC(=CC=C2)O)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H28N2O3/c1-3-16(2)14-24-11-5-10-22(15-24,18-6-4-7-19(25)12-18)20-9-8-17(13-23-20)21(26)27/h4,6-9,12-13,16,25H,3,5,10-11,14-15H2,1-2H3,(H,26,27)