4-[1-[5,5-dimethyl-8-(2-pyridin-3-ylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid

Systemtic Name: 4-[1-[5,5-dimethyl-8-(2-pyridin-3-ylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid Openeye Name: 4-[1-[5,5-dimethyl-8-[2-(3-pyridyl)ethynyl]-6H-naphthalen-2-yl]vinyl]benzoic acid CAS Name: 4-[1-[5,5-dimethyl-8-[2-(3-pyridinyl)ethynyl]-6H-naphthalen-2-yl]ethenyl]benzoic acid IUPAC Name: 4-[1-[5,5-dimethyl-8-(2-pyridin-3-ylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid Traditional Name: 4-[1-[5,5-dimethyl-8-[2-(3-pyridyl)ethynyl]-6H-naphthalen-2-yl]vinyl]benzoic acid Formula: C28H23NO2 MolecularWeight: 405.48772

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C(=C)C3=CC=C(C=C3)C(=O)O)C#CC4=CN=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C(=C)C3=CC=C(C=C3)C(=O)O)C#CC4=CN=CC=C4)C

InChI

InChI=1S/C28H23NO2/c1-19(21-8-10-23(11-9-21)27(30)31)24-12-13-26-25(17-24)22(14-15-28(26,2)3)7-6-20-5-4-16-29-18-20/h4-5,8-14,16-18H,1,15H2,2-3H3,(H,30,31)