3-[4-[(2-cyanopyridin-3-yl)oxymethyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-cyanopyridin-3-yl)oxymethyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Openeye Name: 3-[4-[(2-cyano-3-pyridyl)oxymethyl]-2-[2-(2-naphthyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[(2-cyano-3-pyridinyl)oxymethyl]-2-[2-(2-naphthalenyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-cyanopyridin-3-yl)oxymethyl]-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Traditional Name: 3-[4-[(2-cyano-3-pyridyl)oxymethyl]-2-[2-(2-naphthyl)ethoxy]phenyl]propionic acid Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)COC4=C(N=CC=C4)C#N)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)COC4=C(N=CC=C4)C#N)CCC(=O)O

InChI

InChI=1S/C28H24N2O4/c29-18-25-26(6-3-14-30-25)34-19-21-8-10-23(11-12-28(31)32)27(17-21)33-15-13-20-7-9-22-4-1-2-5-24(22)16-20/h1-10,14,16-17H,11-13,15,19H2,(H,31,32)