(2-cyanophenyl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: (2-cyanophenyl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: (2-cyanophenyl)methyl 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid (2-cyanobenzyl) ester Formula: C20H21NO4 MolecularWeight: 339.38504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)OC

InChI

InChI=1S/C20H21NO4/c1-14(2)12-24-18-9-8-15(10-19(18)23-3)20(22)25-13-17-7-5-4-6-16(17)11-21/h4-10,14H,12-13H2,1-3H3