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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCCC(C1)(C2=CC(=CC=C2)O)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCN1CCCC(C1)(C2=CC(=CC=C2)O)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H28N2O3/c1-2-3-4-12-24-13-6-11-22(16-24,18-7-5-8-19(25)14-18)20-10-9-17(15-23-20)21(26)27/h5,7-10,14-15,25H,2-4,6,11-13,16H2,1H3,(H,26,27)