ethyl (Z)-3-methyl-5-phenyl-2-(2-phenylethynyl)pent-2-en-4-ynoate

Systemtic Name: ethyl (Z)-3-methyl-5-phenyl-2-(2-phenylethynyl)pent-2-en-4-ynoate Openeye Name: ethyl (Z)-3-methyl-5-phenyl-2-(2-phenylethynyl)pent-2-en-4-ynoate CAS Name: (Z)-3-methyl-5-phenyl-2-(2-phenylethynyl)pent-2-en-4-ynoic acid ethyl ester IUPAC Name: ethyl (Z)-3-methyl-5-phenyl-2-(2-phenylethynyl)pent-2-en-4-ynoate Traditional Name: (Z)-3-methyl-5-phenyl-2-(2-phenylethynyl)pent-2-en-4-ynoic acid ethyl ester Formula: C22H18O2 MolecularWeight: 314.37712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)C#CC1=CC=CC=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C(/C)\C#CC1=CC=CC=C1)/C#CC2=CC=CC=C2

InChI

InChI=1S/C22H18O2/c1-3-24-22(23)21(17-16-20-12-8-5-9-13-20)18(2)14-15-19-10-6-4-7-11-19/h4-13H,3H2,1-2H3/b21-18-