sodium 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid

Systemtic Name: sodium 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid Openeye Name: sodium 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid CAS Name: sodium 3-[2-[[(1S,2R,3S,4R)-3-[4-[oxo-(pentylamino)methyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid IUPAC Name: sodium 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid Traditional Name: sodium 3-[2-[[(1S,2R,3S,4R)-3-[4-(amylcarbamoyl)oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propionic acid Formula: C25H32N2NaO5+ MolecularWeight: 463.52175

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=COC(=N1)C2C3CCC(C2CC4=CC=CC=C4CCC(=O)O)O3.[Na+]

Isomeric SMILES

CCCCCNC(=O)C1=COC(=N1)[C@@H]2[C@H]3CC[C@@H]([C@@H]2CC4=CC=CC=C4CCC(=O)O)O3.[Na+]

InChI

InChI=1S/C25H32N2O5.Na/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29;/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29);/q;+1/t18-,20-,21+,23-;/m0./s1