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

Systemtic Name: 2-[3-[6-(5-chloranyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid Openeye Name: 2-[3-[[6-(5-chloro-1,3-benzoxazol-2-yl)-2-naphthyl]oxy]propyl]propanedioic acid CAS Name: 2-[3-[[6-(5-chloro-1,3-benzoxazol-2-yl)-2-naphthalenyl]oxy]propyl]propanedioic acid IUPAC Name: 2-[3-[6-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid Traditional Name: 2-[3-[6-(5-chloro-1,3-benzoxazol-2-yl)-2-naphthoxy]propyl]malonic acid Formula: C23H18ClNO6 MolecularWeight: 439.84512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClNO6/c24-16-6-8-20-19(12-16)25-21(31-20)15-4-3-14-11-17(7-5-13(14)10-15)30-9-1-2-18(22(26)27)23(28)29/h3-8,10-12,18H,1-2,9H2,(H,26,27)(H,28,29)