(2-cyanophenyl) 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: (2-cyanophenyl) 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate Openeye Name: (2-cyanophenyl) 4-benzyloxy-3-bromo-5-methoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-phenylmethoxybenzoic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 3-bromo-5-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-bromo-5-methoxy-benzoic acid (2-cyanophenyl) ester Formula: C22H16BrNO4 MolecularWeight: 438.27074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OC2=CC=CC=C2C#N)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OC2=CC=CC=C2C#N)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H16BrNO4/c1-26-20-12-17(22(25)28-19-10-6-5-9-16(19)13-24)11-18(23)21(20)27-14-15-7-3-2-4-8-15/h2-12H,14H2,1H3