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

Systemtic Name: 2-[3-[3-(5-chloranyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid Openeye Name: 2-[3-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-naphthyl]oxy]propyl]propanedioic acid CAS Name: 2-[3-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-naphthalenyl]oxy]propyl]propanedioic acid IUPAC Name: 2-[3-[3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioic acid Traditional Name: 2-[3-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-naphthoxy]propyl]malonic acid Formula: C23H18ClNO6 MolecularWeight: 439.84512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C3=NC4=C(O3)C=CC(=C4)Cl)OCCCC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C3=NC4=C(O3)C=CC(=C4)Cl)OCCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C23H18ClNO6/c24-15-7-8-19-18(12-15)25-21(31-19)17-10-13-4-1-2-5-14(13)11-20(17)30-9-3-6-16(22(26)27)23(28)29/h1-2,4-5,7-8,10-12,16H,3,6,9H2,(H,26,27)(H,28,29)