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

Systemtic Name: 4-[(2-cyano-4-methyl-6-phenethyl-phenoxy)methyl]benzoic acid Openeye Name: 4-[(2-cyano-4-methyl-6-phenethyl-phenoxy)methyl]benzoic acid CAS Name: 4-[(2-cyano-4-methyl-6-phenethylphenoxy)methyl]benzoic acid IUPAC Name: 4-[(2-cyano-4-methyl-6-phenethylphenoxy)methyl]benzoic acid Traditional Name: 4-[(2-cyano-4-methyl-6-phenethyl-phenoxy)methyl]benzoic acid Formula: C24H21NO3 MolecularWeight: 371.42844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C#N)OCC2=CC=C(C=C2)C(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=C1)C#N)OCC2=CC=C(C=C2)C(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H21NO3/c1-17-13-21(12-7-18-5-3-2-4-6-18)23(22(14-17)15-25)28-16-19-8-10-20(11-9-19)24(26)27/h2-6,8-11,13-14H,7,12,16H2,1H3,(H,26,27)