methyl (E)-3-[4-acetyloxy-3-methoxy-5-(2-phenylethynyl)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-acetyloxy-3-methoxy-5-(2-phenylethynyl)phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-acetoxy-3-methoxy-5-(2-phenylethynyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-acetyloxy-3-methoxy-5-(2-phenylethynyl)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-acetyloxy-3-methoxy-5-(2-phenylethynyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-acetoxy-3-methoxy-5-(2-phenylethynyl)phenyl]acrylic acid methyl ester Formula: C21H18O5 MolecularWeight: 350.36462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C#CC2=CC=CC=C2)C=CC(=O)OC)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C#CC2=CC=CC=C2)/C=C/C(=O)OC)OC

InChI

InChI=1S/C21H18O5/c1-15(22)26-21-18(11-9-16-7-5-4-6-8-16)13-17(14-19(21)24-2)10-12-20(23)25-3/h4-8,10,12-14H,1-3H3/b12-10+