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

Systemtic Name: 4-[[4-(cyanomethyl)-2-phenethyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-(cyanomethyl)-2-phenethyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-(cyanomethyl)-2-phenethylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(cyanomethyl)-2-phenethylphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-(cyanomethyl)-2-phenethyl-phenoxy]methyl]benzoic acid Formula: C24H21NO3 MolecularWeight: 371.42844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21NO3/c25-15-14-19-9-13-23(22(16-19)12-6-18-4-2-1-3-5-18)28-17-20-7-10-21(11-8-20)24(26)27/h1-5,7-11,13,16H,6,12,14,17H2,(H,26,27)