methyl 7-oxidanylidene-7-[2-(phenylmethyl)phenyl]hept-5-ynoate

Systemtic Name: methyl 7-oxidanylidene-7-[2-(phenylmethyl)phenyl]hept-5-ynoate Openeye Name: methyl 7-(2-benzylphenyl)-7-oxo-hept-5-ynoate CAS Name: 7-oxo-7-[2-(phenylmethyl)phenyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-(2-benzylphenyl)-7-oxohept-5-ynoate Traditional Name: 7-(2-benzylphenyl)-7-keto-hept-5-ynoic acid methyl ester Formula: C21H20O3 MolecularWeight: 320.3817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC#CC(=O)C1=CC=CC=C1CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCC#CC(=O)C1=CC=CC=C1CC2=CC=CC=C2

InChI

InChI=1S/C21H20O3/c1-24-21(23)15-7-3-6-14-20(22)19-13-9-8-12-18(19)16-17-10-4-2-5-11-17/h2,4-5,8-13H,3,7,15-16H2,1H3