ethyl 2-methyl-2-(phenylcarbonyl)hex-4-ynoate

Systemtic Name: ethyl 2-methyl-2-(phenylcarbonyl)hex-4-ynoate Openeye Name: ethyl 2-benzoyl-2-methyl-hex-4-ynoate CAS Name: 2-benzoyl-2-methyl-4-hexynoic acid ethyl ester IUPAC Name: ethyl 2-benzoyl-2-methylhex-4-ynoate Traditional Name: 2-benzoyl-2-methyl-hex-4-ynoic acid ethyl ester Formula: C16H18O3 MolecularWeight: 258.31232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC#CC)C(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(C)(CC#CC)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H18O3/c1-4-6-12-16(3,15(18)19-5-2)14(17)13-10-8-7-9-11-13/h7-11H,5,12H2,1-3H3