3-[4-(benzimidazol-1-ylmethyl)-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-(benzimidazol-1-ylmethyl)-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Openeye Name: 3-[4-(benzimidazol-1-ylmethyl)-2-[2-(2-naphthyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-(1-benzimidazolylmethyl)-2-[2-(2-naphthalenyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-(benzimidazol-1-ylmethyl)-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Traditional Name: 3-[4-(benzimidazol-1-ylmethyl)-2-[2-(2-naphthyl)ethoxy]phenyl]propionic acid Formula: C29H26N2O3 MolecularWeight: 450.52834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=NC5=CC=CC=C54)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=NC5=CC=CC=C54)CCC(=O)O

InChI

InChI=1S/C29H26N2O3/c32-29(33)14-13-24-12-10-22(19-31-20-30-26-7-3-4-8-27(26)31)18-28(24)34-16-15-21-9-11-23-5-1-2-6-25(23)17-21/h1-12,17-18,20H,13-16,19H2,(H,32,33)