2-[5-[6-(4-methyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioic acid

Systemtic Name: 2-[5-[6-(4-methyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioic acid Openeye Name: 2-[5-[[6-(4-methyl-1,3-benzoxazol-2-yl)-2-naphthyl]oxy]pentyl]propanedioic acid CAS Name: 2-[5-[[6-(4-methyl-1,3-benzoxazol-2-yl)-2-naphthalenyl]oxy]pentyl]propanedioic acid IUPAC Name: 2-[5-[6-(4-methyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioic acid Traditional Name: 2-[5-[6-(4-methyl-1,3-benzoxazol-2-yl)-2-naphthoxy]pentyl]malonic acid Formula: C26H25NO6 MolecularWeight: 447.4798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)C3=CC4=C(C=C3)C=C(C=C4)OCCCCCC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)C3=CC4=C(C=C3)C=C(C=C4)OCCCCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C26H25NO6/c1-16-6-5-8-22-23(16)27-24(33-22)19-10-9-18-15-20(12-11-17(18)14-19)32-13-4-2-3-7-21(25(28)29)26(30)31/h5-6,8-12,14-15,21H,2-4,7,13H2,1H3,(H,28,29)(H,30,31)