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

Systemtic Name: ethyl 4-[2-[5,5-dimethyl-8-(6-methylpyridin-3-yl)-6H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[5,5-dimethyl-8-(6-methyl-3-pyridyl)-6H-naphthalen-2-yl]ethynyl]benzoate CAS Name: 4-[2-[5,5-dimethyl-8-(6-methyl-3-pyridinyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[5,5-dimethyl-8-(6-methylpyridin-3-yl)-6H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-[5,5-dimethyl-8-(6-methyl-3-pyridyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester Formula: C29H27NO2 MolecularWeight: 421.53018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO2/c1-5-32-28(31)23-13-9-21(10-14-23)7-8-22-11-15-27-26(18-22)25(16-17-29(27,3)4)24-12-6-20(2)30-19-24/h6,9-16,18-19H,5,17H2,1-4H3