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

Systemtic Name: 2-[3-[3-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid Openeye Name: 2-[3-[[3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-naphthyl]oxy]propyl]propanedioic acid CAS Name: 2-[3-[[3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-naphthalenyl]oxy]propyl]propanedioic acid IUPAC Name: 2-[3-[3-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid Traditional Name: 2-[3-[3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-naphthoxy]propyl]malonic acid Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC4=CC=CC=C4C=C3OCCCC(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC4=CC=CC=C4C=C3OCCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C27H27NO6/c1-27(2,3)18-10-11-22-21(15-18)28-24(34-22)20-13-16-7-4-5-8-17(16)14-23(20)33-12-6-9-19(25(29)30)26(31)32/h4-5,7-8,10-11,13-15,19H,6,9,12H2,1-3H3,(H,29,30)(H,31,32)