2-[[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]methyl]propanedioic acid

Systemtic Name: 2-[[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]methyl]propanedioic acid Openeye Name: 2-[[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]methyl]propanedioic acid CAS Name: 2-[[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]methyl]propanedioic acid IUPAC Name: 2-[[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]methyl]propanedioic acid Traditional Name: 2-[[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]methyl]malonic acid Formula: C23H17NO6 MolecularWeight: 403.38418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(C=C4)OCC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(C=C4)OCC(C(=O)O)C(=O)O

InChI

InChI=1S/C23H17NO6/c25-22(26)18(23(27)28)13-29-17-11-9-15(10-12-17)14-5-7-16(8-6-14)21-24-19-3-1-2-4-20(19)30-21/h1-12,18H,13H2,(H,25,26)(H,27,28)