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

Systemtic Name: 2-[3-[6-(5-phenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid Openeye Name: 2-[3-[[6-(5-phenyl-1,3-benzoxazol-2-yl)-2-naphthyl]oxy]propyl]propanedioic acid CAS Name: 2-[3-[[6-(5-phenyl-1,3-benzoxazol-2-yl)-2-naphthalenyl]oxy]propyl]propanedioic acid IUPAC Name: 2-[3-[6-(5-phenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid Traditional Name: 2-[3-[6-(5-phenyl-1,3-benzoxazol-2-yl)-2-naphthoxy]propyl]malonic acid Formula: C29H23NO6 MolecularWeight: 481.49602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=CC5=C(C=C4)C=C(C=C5)OCCCC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=CC5=C(C=C4)C=C(C=C5)OCCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C29H23NO6/c31-28(32)24(29(33)34)7-4-14-35-23-12-10-19-15-22(9-8-20(19)16-23)27-30-25-17-21(11-13-26(25)36-27)18-5-2-1-3-6-18/h1-3,5-6,8-13,15-17,24H,4,7,14H2,(H,31,32)(H,33,34)