2-[2-[3-(1-cyanoethyl)phenyl]ethyl]benzoic acid

Systemtic Name: 2-[2-[3-(1-cyanoethyl)phenyl]ethyl]benzoic acid Openeye Name: 2-[2-[3-(1-cyanoethyl)phenyl]ethyl]benzoic acid CAS Name: 2-[2-[3-(1-cyanoethyl)phenyl]ethyl]benzoic acid IUPAC Name: 2-[2-[3-(1-cyanoethyl)phenyl]ethyl]benzoic acid Traditional Name: 2-[2-[3-(1-cyanoethyl)phenyl]ethyl]benzoic acid Formula: C18H17NO2 MolecularWeight: 279.33308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC=CC(=C1)CCC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C#N)C1=CC=CC(=C1)CCC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H17NO2/c1-13(12-19)16-7-4-5-14(11-16)9-10-15-6-2-3-8-17(15)18(20)21/h2-8,11,13H,9-10H2,1H3,(H,20,21)