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2-[5-[2-(1,3-benzoxazol-2-yl)phenoxy]pentyl]propanedioic acid

2-[5-[2-(1,3-benzoxazol-2-yl)phenoxy]pentyl]propanedioic acid

Systemtic Name:2-[5-[2-(1,3-benzoxazol-2-yl)phenoxy]pentyl]propanedioic acid
Openeye Name:2-[5-[2-(1,3-benzoxazol-2-yl)phenoxy]pentyl]propanedioic acid
CAS Name:2-[5-[2-(1,3-benzoxazol-2-yl)phenoxy]pentyl]propanedioic acid
IUPAC Name:2-[5-[2-(1,3-benzoxazol-2-yl)phenoxy]pentyl]propanedioic acid
Traditional Name:2-[5-[2-(1,3-benzoxazol-2-yl)phenoxy]pentyl]malonic acid
Formula: C21H21NO6
MolecularWeight: 383.39454
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)OCCCCCC(C(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)OCCCCCC(C(=O)O)C(=O)O


InChI

InChI=1S/C21H21NO6/c23-20(24)15(21(25)26)9-2-1-7-13-27-17-11-5-3-8-14(17)19-22-16-10-4-6-12-18(16)28-19/h3-6,8,10-12,15H,1-2,7,9,13H2,(H,23,24)(H,25,26)


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