(4-cyanophenyl)methyl 2-[(3-bromophenyl)methoxy]benzoate

Systemtic Name: (4-cyanophenyl)methyl 2-[(3-bromophenyl)methoxy]benzoate Openeye Name: (4-cyanophenyl)methyl 2-[(3-bromophenyl)methoxy]benzoate CAS Name: 2-[(3-bromophenyl)methoxy]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[(3-bromophenyl)methoxy]benzoate Traditional Name: 2-(3-bromobenzyl)oxybenzoic acid (4-cyanobenzyl) ester Formula: C22H16BrNO3 MolecularWeight: 422.27134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C#N)OCC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C#N)OCC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H16BrNO3/c23-19-5-3-4-18(12-19)15-26-21-7-2-1-6-20(21)22(25)27-14-17-10-8-16(13-24)9-11-17/h1-12H,14-15H2