ethyl 2-(3-cyanopropyl)-3-phenylmethoxy-benzoate

Systemtic Name: ethyl 2-(3-cyanopropyl)-3-phenylmethoxy-benzoate Openeye Name: ethyl 3-benzyloxy-2-(3-cyanopropyl)benzoate CAS Name: 2-(3-cyanopropyl)-3-phenylmethoxybenzoic acid ethyl ester IUPAC Name: ethyl 2-(3-cyanopropyl)-3-phenylmethoxybenzoate Traditional Name: 3-benzoxy-2-(3-cyanopropyl)benzoic acid ethyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)OCC2=CC=CC=C2)CCCC#N

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)OCC2=CC=CC=C2)CCCC#N

InChI

InChI=1S/C20H21NO3/c1-2-23-20(22)18-12-8-13-19(17(18)11-6-7-14-21)24-15-16-9-4-3-5-10-16/h3-5,8-10,12-13H,2,6-7,11,15H2,1H3