3-[2-(2-naphthalen-2-ylethoxy)-4-(pyridin-3-yloxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyridin-3-yloxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(2-naphthyl)ethoxy]-4-(3-pyridyloxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(2-naphthalenyl)ethoxy]-4-(3-pyridinyloxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-(pyridin-3-yloxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(2-naphthyl)ethoxy]-4-(3-pyridyloxymethyl)phenyl]propionic acid Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO4/c29-27(30)12-11-23-10-8-21(19-32-25-6-3-14-28-18-25)17-26(23)31-15-13-20-7-9-22-4-1-2-5-24(22)16-20/h1-10,14,16-18H,11-13,15,19H2,(H,29,30)