4-[2-(5,5-dimethyl-8-pyridin-2-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(5,5-dimethyl-8-pyridin-2-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-[5,5-dimethyl-8-(2-pyridyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[5,5-dimethyl-8-(2-pyridinyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-(5,5-dimethyl-8-pyridin-2-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-[5,5-dimethyl-8-(2-pyridyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C26H21NO2 MolecularWeight: 379.45044

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC=CC=N4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC=CC=N4)C

InChI

InChI=1S/C26H21NO2/c1-26(2)15-14-21(24-5-3-4-16-27-24)22-17-19(10-13-23(22)26)7-6-18-8-11-20(12-9-18)25(28)29/h3-5,8-14,16-17H,15H2,1-2H3,(H,28,29)