diethyl 2-but-2-ynyl-2-(phenylmethyl)propanedioate

Systemtic Name: diethyl 2-but-2-ynyl-2-(phenylmethyl)propanedioate Openeye Name: diethyl 2-benzyl-2-but-2-ynyl-propanedioate CAS Name: 2-but-2-ynyl-2-(phenylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzyl-2-but-2-ynylpropanedioate Traditional Name: 2-benzyl-2-but-2-ynyl-malonic acid diethyl ester Formula: C18H22O4 MolecularWeight: 302.36488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#CC)(CC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC#CC)(CC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C18H22O4/c1-4-7-13-18(16(19)21-5-2,17(20)22-6-3)14-15-11-9-8-10-12-15/h8-12H,5-6,13-14H2,1-3H3