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

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

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C4=CN=CC=C4)(C)C

InChI

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