diethyl 2-(3-cyclopropylidenebutyl)-2-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]propanedioate

Systemtic Name: diethyl 2-(3-cyclopropylidenebutyl)-2-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]propanedioate Openeye Name: diethyl 2-(3-cyclopropylidenebutyl)-2-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]propanedioate CAS Name: 2-(3-cyclopropylidenebutyl)-2-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-cyclopropylidenebutyl)-2-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]propanedioate Traditional Name: 2-(3-cyclopropylidenebutyl)-2-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]malonic acid diethyl ester Formula: C27H32O5 MolecularWeight: 436.53998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=C1CC1)C)(CC#CCOCC#CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC(=C1CC1)C)(CC#CCOCC#CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C27H32O5/c1-4-31-25(28)27(26(29)32-5-2,19-17-22(3)24-15-16-24)18-9-10-20-30-21-11-14-23-12-7-6-8-13-23/h6-8,12-13H,4-5,15-21H2,1-3H3