(phenylmethyl) 2-methoxy-5-[(E)-3-oxidanylideneprop-1-enyl]benzoate

Systemtic Name: (phenylmethyl) 2-methoxy-5-[(E)-3-oxidanylideneprop-1-enyl]benzoate Openeye Name: benzyl 2-methoxy-5-[(E)-3-oxoprop-1-enyl]benzoate CAS Name: 2-methoxy-5-[(E)-3-oxoprop-1-enyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methoxy-5-[(E)-3-oxoprop-1-enyl]benzoate Traditional Name: 5-[(E)-3-ketoprop-1-enyl]-2-methoxy-benzoic acid benzyl ester Formula: C18H16O4 MolecularWeight: 296.31724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H16O4/c1-21-17-10-9-14(8-5-11-19)12-16(17)18(20)22-13-15-6-3-2-4-7-15/h2-12H,13H2,1H3/b8-5+