(4-cyano-2-methoxy-phenyl) 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: (4-cyano-2-methoxy-phenyl) 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid (4-cyano-2-methoxy-phenyl) ester Formula: C18H15NO5 MolecularWeight: 325.3154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H15NO5/c1-21-16-9-13(10-19)3-6-15(16)24-18(20)7-4-12-2-5-14-17(8-12)23-11-22-14/h2-3,5-6,8-9H,4,7,11H2,1H3