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

Systemtic Name: 4-[2-[5,5-dimethyl-8-(6-methylpyridin-3-yl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[5,5-dimethyl-8-(6-methyl-3-pyridyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[5,5-dimethyl-8-(6-methyl-3-pyridinyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[5,5-dimethyl-8-(6-methylpyridin-3-yl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[5,5-dimethyl-8-(6-methyl-3-pyridyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C27H23NO2 MolecularWeight: 393.47702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=NC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C27H23NO2/c1-18-4-10-22(17-28-18)23-14-15-27(2,3)25-13-9-20(16-24(23)25)6-5-19-7-11-21(12-8-19)26(29)30/h4,7-14,16-17H,15H2,1-3H3,(H,29,30)