(3-cyanophenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: (3-cyanophenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: (3-cyanophenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid (3-cyanobenzyl) ester Formula: C20H17NO5 MolecularWeight: 351.35268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H17NO5/c21-12-14-2-1-3-15(10-14)13-26-20(23)7-5-17(22)16-4-6-18-19(11-16)25-9-8-24-18/h1-4,6,10-11H,5,7-9,13H2