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

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenyl-propanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenyl-propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenylpropanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-3-phenyl-propionic acid ethyl ester Formula: C19H17NO4 MolecularWeight: 323.34258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1=CC=CC=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C(C#N)C(C1=CC=CC=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H17NO4/c1-2-22-19(21)15(11-20)18(13-6-4-3-5-7-13)14-8-9-16-17(10-14)24-12-23-16/h3-10,15,18H,2,12H2,1H3