2-[2-[3-(cyanomethyl)phenyl]ethyl]benzoic acid

Systemtic Name: 2-[2-[3-(cyanomethyl)phenyl]ethyl]benzoic acid Openeye Name: 2-[2-[3-(cyanomethyl)phenyl]ethyl]benzoic acid CAS Name: 2-[2-[3-(cyanomethyl)phenyl]ethyl]benzoic acid IUPAC Name: 2-[2-[3-(cyanomethyl)phenyl]ethyl]benzoic acid Traditional Name: 2-[2-[3-(cyanomethyl)phenyl]ethyl]benzoic acid Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO2/c18-11-10-14-5-3-4-13(12-14)8-9-15-6-1-2-7-16(15)17(19)20/h1-7,12H,8-10H2,(H,19,20)