6-[2-[4-(4-methylpentyl)phenyl]ethynyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-[4-(4-methylpentyl)phenyl]ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-(4-isohexylphenyl)ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-[4-(4-methylpentyl)phenyl]ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-[4-(4-methylpentyl)phenyl]ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-(4-isohexylphenyl)ethynyl]nicotinic acid Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1=CC=C(C=C1)C#CC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CCCC1=CC=C(C=C1)C#CC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H21NO2/c1-15(2)4-3-5-16-6-8-17(9-7-16)10-12-19-13-11-18(14-21-19)20(22)23/h6-9,11,13-15H,3-5H2,1-2H3,(H,22,23)