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

Systemtic Name: 4-[(2-cyano-6-phenethyl-phenoxy)methyl]benzoic acid Openeye Name: 4-[(2-cyano-6-phenethyl-phenoxy)methyl]benzoic acid CAS Name: 4-[(2-cyano-6-phenethylphenoxy)methyl]benzoic acid IUPAC Name: 4-[(2-cyano-6-phenethylphenoxy)methyl]benzoic acid Traditional Name: 4-[(2-cyano-6-phenethyl-phenoxy)methyl]benzoic acid Formula: C23H19NO3 MolecularWeight: 357.40186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC(=C2OCC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC(=C2OCC3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C23H19NO3/c24-15-21-8-4-7-19(12-9-17-5-2-1-3-6-17)22(21)27-16-18-10-13-20(14-11-18)23(25)26/h1-8,10-11,13-14H,9,12,16H2,(H,25,26)