2,6-dimethyl-1-[2-(2-phenylethynyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-1-[2-(2-phenylethynyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-1-[2-(2-phenylethynyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-1-[2-(2-phenylethynyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-1-[2-(2-phenylethynyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-1-[2-(2-phenylethynyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid Formula: C23H19NO4 MolecularWeight: 373.40126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(N1C2=CC=CC=C2C#CC3=CC=CC=C3)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(CC(=C(N1C2=CC=CC=C2C#CC3=CC=CC=C3)C)C(=O)O)C(=O)O

InChI

InChI=1S/C23H19NO4/c1-15-19(22(25)26)14-20(23(27)28)16(2)24(15)21-11-7-6-10-18(21)13-12-17-8-4-3-5-9-17/h3-11H,14H2,1-2H3,(H,25,26)(H,27,28)