4-[(3-bromanyl-2-cyano-6-phenethyl-phenoxy)methyl]benzoic acid

Systemtic Name: 4-[(3-bromanyl-2-cyano-6-phenethyl-phenoxy)methyl]benzoic acid Openeye Name: 4-[(3-bromo-2-cyano-6-phenethyl-phenoxy)methyl]benzoic acid CAS Name: 4-[(3-bromo-2-cyano-6-phenethylphenoxy)methyl]benzoic acid IUPAC Name: 4-[(3-bromo-2-cyano-6-phenethylphenoxy)methyl]benzoic acid Traditional Name: 4-[(3-bromo-2-cyano-6-phenethyl-phenoxy)methyl]benzoic acid Formula: C23H18BrNO3 MolecularWeight: 436.29792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=C(C=C2)Br)C#N)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=C(C=C2)Br)C#N)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H18BrNO3/c24-21-13-12-18(9-6-16-4-2-1-3-5-16)22(20(21)14-25)28-15-17-7-10-19(11-8-17)23(26)27/h1-5,7-8,10-13H,6,9,15H2,(H,26,27)