3-[3-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-2H-1,3-benzoxazol-2-yl]propanoic acid

Systemtic Name: 3-[3-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-2H-1,3-benzoxazol-2-yl]propanoic acid Openeye Name: 3-[3-methyl-6-[[3-(2-quinolylmethoxy)phenyl]methoxy]-2H-1,3-benzoxazol-2-yl]propanoic acid CAS Name: 3-[3-methyl-6-[[3-(2-quinolinylmethoxy)phenyl]methoxy]-2H-1,3-benzoxazol-2-yl]propanoic acid IUPAC Name: 3-[3-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-2H-1,3-benzoxazol-2-yl]propanoic acid Traditional Name: 3-[3-methyl-6-[3-(2-quinolylmethoxy)benzyl]oxy-2H-1,3-benzoxazol-2-yl]propionic acid Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(OC2=C1C=CC(=C2)OCC3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)CCC(=O)O

Isomeric SMILES

CN1C(OC2=C1C=CC(=C2)OCC3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)CCC(=O)O

InChI

InChI=1S/C28H26N2O5/c1-30-25-12-11-23(16-26(25)35-27(30)13-14-28(31)32)33-17-19-5-4-7-22(15-19)34-18-21-10-9-20-6-2-3-8-24(20)29-21/h2-12,15-16,27H,13-14,17-18H2,1H3,(H,31,32)