2-[5-[6-(5-chloranyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioic acid

Systemtic Name: 2-[5-[6-(5-chloranyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioic acid Openeye Name: 2-[5-[[6-(5-chloro-1,3-benzoxazol-2-yl)-2-naphthyl]oxy]pentyl]propanedioic acid CAS Name: 2-[5-[[6-(5-chloro-1,3-benzoxazol-2-yl)-2-naphthalenyl]oxy]pentyl]propanedioic acid IUPAC Name: 2-[5-[6-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioic acid Traditional Name: 2-[5-[6-(5-chloro-1,3-benzoxazol-2-yl)-2-naphthoxy]pentyl]malonic acid Formula: C25H22ClNO6 MolecularWeight: 467.89828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)OCCCCCC(C(=O)O)C(=O)O)C=C1C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC2=C(C=CC(=C2)OCCCCCC(C(=O)O)C(=O)O)C=C1C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C25H22ClNO6/c26-18-8-10-22-21(14-18)27-23(33-22)17-6-5-16-13-19(9-7-15(16)12-17)32-11-3-1-2-4-20(24(28)29)25(30)31/h5-10,12-14,20H,1-4,11H2,(H,28,29)(H,30,31)