4-[2-(5,5-dimethyl-8-pyridin-3-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(5,5-dimethyl-8-pyridin-3-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-[5,5-dimethyl-8-(3-pyridyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[5,5-dimethyl-8-(3-pyridinyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-(5,5-dimethyl-8-pyridin-3-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-[5,5-dimethyl-8-(3-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=CN=CC=C4)C

Isomeric SMILES

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

InChI

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