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

Systemtic Name: 6-[3-(3-hydroxyphenyl)-1-(2-methylpropyl)piperidin-3-yl]pyridine-3-carboxylic acid Openeye Name: 6-[3-(3-hydroxyphenyl)-1-isobutyl-3-piperidyl]pyridine-3-carboxylic acid CAS Name: 6-[3-(3-hydroxyphenyl)-1-(2-methylpropyl)-3-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-(3-hydroxyphenyl)-1-(2-methylpropyl)piperidin-3-yl]pyridine-3-carboxylic acid Traditional Name: 6-[3-(3-hydroxyphenyl)-1-isobutyl-3-piperidyl]nicotinic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-15(2)13-23-10-4-9-21(14-23,17-5-3-6-18(24)11-17)19-8-7-16(12-22-19)20(25)26/h3,5-8,11-12,15,24H,4,9-10,13-14H2,1-2H3,(H,25,26)