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

Systemtic Name: 2-[3-[5-(6-methyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid Openeye Name: 2-[3-[[5-(6-methyl-1,3-benzoxazol-2-yl)-2-naphthyl]oxy]propyl]propanedioic acid CAS Name: 2-[3-[[5-(6-methyl-1,3-benzoxazol-2-yl)-2-naphthalenyl]oxy]propyl]propanedioic acid IUPAC Name: 2-[3-[5-(6-methyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid Traditional Name: 2-[3-[5-(6-methyl-1,3-benzoxazol-2-yl)-2-naphthoxy]propyl]malonic acid Formula: C24H21NO6 MolecularWeight: 419.42664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC=CC4=C3C=CC(=C4)OCCCC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC=CC4=C3C=CC(=C4)OCCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C24H21NO6/c1-14-7-10-20-21(12-14)31-22(25-20)18-5-2-4-15-13-16(8-9-17(15)18)30-11-3-6-19(23(26)27)24(28)29/h2,4-5,7-10,12-13,19H,3,6,11H2,1H3,(H,26,27)(H,28,29)