methyl (E)-5-(3-methoxyphenyl)pent-2-en-4-ynoate

Systemtic Name: methyl (E)-5-(3-methoxyphenyl)pent-2-en-4-ynoate Openeye Name: methyl (E)-5-(3-methoxyphenyl)pent-2-en-4-ynoate CAS Name: (E)-5-(3-methoxyphenyl)pent-2-en-4-ynoic acid methyl ester IUPAC Name: methyl (E)-5-(3-methoxyphenyl)pent-2-en-4-ynoate Traditional Name: (E)-5-(3-methoxyphenyl)pent-2-en-4-ynoic acid methyl ester Formula: C13H12O3 MolecularWeight: 216.23258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C#CC=CC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C#C/C=C/C(=O)OC

InChI

InChI=1S/C13H12O3/c1-15-12-8-5-7-11(10-12)6-3-4-9-13(14)16-2/h4-5,7-10H,1-2H3/b9-4+