2-[4-chloranyl-2-[(3-cyanophenyl)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-[(3-cyanophenyl)methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-chloro-2-[(3-cyanophenyl)methyl]phenoxy]acetic acid CAS Name: 2-[4-chloro-2-[(3-cyanophenyl)methyl]phenoxy]acetic acid IUPAC Name: 2-[4-chloro-2-[(3-cyanophenyl)methyl]phenoxy]acetic acid Traditional Name: 2-[4-chloro-2-(3-cyanobenzyl)phenoxy]acetic acid Formula: C16H12ClNO3 MolecularWeight: 301.72438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC2=C(C=CC(=C2)Cl)OCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CC2=C(C=CC(=C2)Cl)OCC(=O)O)C#N

InChI

InChI=1S/C16H12ClNO3/c17-14-4-5-15(21-10-16(19)20)13(8-14)7-11-2-1-3-12(6-11)9-18/h1-6,8H,7,10H2,(H,19,20)