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

Systemtic Name: ethyl 4-[2-(5,5-dimethyl-8-pyridin-2-yl-6H-naphthalen-2-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-[5,5-dimethyl-8-(2-pyridyl)-6H-naphthalen-2-yl]ethynyl]benzoate CAS Name: 4-[2-[5,5-dimethyl-8-(2-pyridinyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5,5-dimethyl-8-pyridin-2-yl-6H-naphthalen-2-yl)ethynyl]benzoate Traditional Name: 4-[2-[5,5-dimethyl-8-(2-pyridyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester Formula: C28H25NO2 MolecularWeight: 407.5036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C4=CC=CC=N4)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C4=CC=CC=N4)(C)C

InChI

InChI=1S/C28H25NO2/c1-4-31-27(30)22-13-10-20(11-14-22)8-9-21-12-15-25-24(19-21)23(16-17-28(25,2)3)26-7-5-6-18-29-26/h5-7,10-16,18-19H,4,17H2,1-3H3