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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=CC5=CC=CC=C5C=C4OCCCC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=CC5=CC=CC=C5C=C4OCCCC(C(=O)O)C(=O)O

InChI

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