dimethyl 2-[(3S)-5-phenylpent-1-en-4-yn-3-yl]propanedioate

Systemtic Name: dimethyl 2-[(3S)-5-phenylpent-1-en-4-yn-3-yl]propanedioate Openeye Name: dimethyl 2-[(1S)-1-(2-phenylethynyl)allyl]propanedioate CAS Name: 2-[(3S)-5-phenylpent-1-en-4-yn-3-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(3S)-5-phenylpent-1-en-4-yn-3-yl]propanedioate Traditional Name: 2-[(1S)-1-(2-phenylethynyl)allyl]malonic acid dimethyl ester Formula: C16H16O4 MolecularWeight: 272.29584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C([C@H](C=C)C#CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C16H16O4/c1-4-13(11-10-12-8-6-5-7-9-12)14(15(17)19-2)16(18)20-3/h4-9,13-14H,1H2,2-3H3/t13-/m1/s1