2-cyano-4-(2-methylphenyl)-2-[3-(pyridin-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 2-cyano-4-(2-methylphenyl)-2-[3-(pyridin-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 2-cyano-4-(o-tolyl)-2-[3-(3-pyridylmethoxy)phenoxy]butanoic acid CAS Name: 2-cyano-4-(2-methylphenyl)-2-[3-(3-pyridinylmethoxy)phenoxy]butanoic acid IUPAC Name: 2-cyano-4-(2-methylphenyl)-2-[3-(pyridin-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 2-cyano-4-(o-tolyl)-2-[3-(3-pyridylmethoxy)phenoxy]butyric acid Formula: C24H22N2O4 MolecularWeight: 402.44248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C#N)(C(=O)O)OC2=CC=CC(=C2)OCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CCC(C#N)(C(=O)O)OC2=CC=CC(=C2)OCC3=CN=CC=C3

InChI

InChI=1S/C24H22N2O4/c1-18-6-2-3-8-20(18)11-12-24(17-25,23(27)28)30-22-10-4-9-21(14-22)29-16-19-7-5-13-26-15-19/h2-10,13-15H,11-12,16H2,1H3,(H,27,28)