(4-cyanophenyl)methyl 3-ethoxy-4-propoxy-benzoate

Systemtic Name: (4-cyanophenyl)methyl 3-ethoxy-4-propoxy-benzoate Openeye Name: (4-cyanophenyl)methyl 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid (4-cyanobenzyl) ester Formula: C20H21NO4 MolecularWeight: 339.38504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N)OCC

InChI

InChI=1S/C20H21NO4/c1-3-11-24-18-10-9-17(12-19(18)23-4-2)20(22)25-14-16-7-5-15(13-21)6-8-16/h5-10,12H,3-4,11,14H2,1-2H3