2-[2-[acetyloxy(3H-1,2-benzodioxol-6-yl)methyl]-1,3-benzoxazol-5-yl]propanoic acid

Systemtic Name: 2-[2-[acetyloxy(3H-1,2-benzodioxol-6-yl)methyl]-1,3-benzoxazol-5-yl]propanoic acid Openeye Name: 2-[2-[acetoxy(3H-1,2-benzodioxol-6-yl)methyl]-1,3-benzoxazol-5-yl]propanoic acid CAS Name: 2-[2-[acetyloxy(3H-1,2-benzodioxol-6-yl)methyl]-1,3-benzoxazol-5-yl]propanoic acid IUPAC Name: 2-[2-[acetyloxy(3H-1,2-benzodioxol-6-yl)methyl]-1,3-benzoxazol-5-yl]propanoic acid Traditional Name: 2-[2-[acetoxy(3H-1,2-benzodioxol-6-yl)methyl]-1,3-benzoxazol-5-yl]propionic acid Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(=N2)C(C3=CC4=C(COO4)C=C3)OC(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC(=N2)C(C3=CC4=C(COO4)C=C3)OC(=O)C)C(=O)O

InChI

InChI=1S/C20H17NO7/c1-10(20(23)24)12-5-6-16-15(7-12)21-19(27-16)18(26-11(2)22)13-3-4-14-9-25-28-17(14)8-13/h3-8,10,18H,9H2,1-2H3,(H,23,24)