2-[6-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyhexanoylamino]pentanedioic acid

Systemtic Name: 2-[6-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyhexanoylamino]pentanedioic acid Openeye Name: 2-[6-[[6-(1,3-benzoxazol-2-yl)-2-naphthyl]oxy]hexanoylamino]pentanedioic acid CAS Name: 2-[[6-[[6-(1,3-benzoxazol-2-yl)-2-naphthalenyl]oxy]-1-oxohexyl]amino]pentanedioic acid IUPAC Name: 2-[6-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyhexanoylamino]pentanedioic acid Traditional Name: 2-[6-[6-(1,3-benzoxazol-2-yl)-2-naphthoxy]hexanoylamino]glutaric acid Formula: C28H28N2O7 MolecularWeight: 504.53112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C3)C=C(C=C4)OCCCCCC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C3)C=C(C=C4)OCCCCCC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C28H28N2O7/c31-25(29-23(28(34)35)13-14-26(32)33)8-2-1-5-15-36-21-12-11-18-16-20(10-9-19(18)17-21)27-30-22-6-3-4-7-24(22)37-27/h3-4,6-7,9-12,16-17,23H,1-2,5,8,13-15H2,(H,29,31)(H,32,33)(H,34,35)