dimethyl 2-[(Z)-4-oxidanylbut-2-enyl]-2-(3-phenylprop-2-ynyl)propanedioate

Systemtic Name: dimethyl 2-[(Z)-4-oxidanylbut-2-enyl]-2-(3-phenylprop-2-ynyl)propanedioate Openeye Name: dimethyl 2-[(Z)-4-hydroxybut-2-enyl]-2-(3-phenylprop-2-ynyl)propanedioate CAS Name: 2-[(Z)-4-hydroxybut-2-enyl]-2-(3-phenylprop-2-ynyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(Z)-4-hydroxybut-2-enyl]-2-(3-phenylprop-2-ynyl)propanedioate Traditional Name: 2-[(Z)-4-hydroxybut-2-enyl]-2-(3-phenylprop-2-ynyl)malonic acid dimethyl ester Formula: C18H20O5 MolecularWeight: 316.3484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CCO)(CC#CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(C/C=C\CO)(CC#CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C18H20O5/c1-22-16(20)18(17(21)23-2,12-6-7-14-19)13-8-11-15-9-4-3-5-10-15/h3-7,9-10,19H,12-14H2,1-2H3/b7-6-