3-[2-[(2-cyano-1,3-benzoxazol-6-yl)-methoxy-methyl]-4-(quinolin-2-ylmethoxy)phenoxy]propanoic acid

Systemtic Name: 3-[2-[(2-cyano-1,3-benzoxazol-6-yl)-methoxy-methyl]-4-(quinolin-2-ylmethoxy)phenoxy]propanoic acid Openeye Name: 3-[2-[(2-cyano-1,3-benzoxazol-6-yl)-methoxy-methyl]-4-(2-quinolylmethoxy)phenoxy]propanoic acid CAS Name: 3-[2-[(2-cyano-1,3-benzoxazol-6-yl)-methoxymethyl]-4-(2-quinolinylmethoxy)phenoxy]propanoic acid IUPAC Name: 3-[2-[(2-cyano-1,3-benzoxazol-6-yl)-methoxymethyl]-4-(quinolin-2-ylmethoxy)phenoxy]propanoic acid Traditional Name: 3-[2-[(2-cyano-1,3-benzoxazol-6-yl)-methoxy-methyl]-4-(2-quinolylmethoxy)phenoxy]propionic acid Formula: C29H23N3O6 MolecularWeight: 509.50942

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC2=C(C=C1)N=C(O2)C#N)C3=C(C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)OCCC(=O)O

Isomeric SMILES

COC(C1=CC2=C(C=C1)N=C(O2)C#N)C3=C(C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)OCCC(=O)O

InChI

InChI=1S/C29H23N3O6/c1-35-29(19-7-10-24-26(14-19)38-27(16-30)32-24)22-15-21(9-11-25(22)36-13-12-28(33)34)37-17-20-8-6-18-4-2-3-5-23(18)31-20/h2-11,14-15,29H,12-13,17H2,1H3,(H,33,34)