3-[2-[[(1S,2R,3S,4R)-3-[4-(4-cyclohexylbutylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoyl chloride

Systemtic Name: 3-[2-[[(1S,2R,3S,4R)-3-[4-(4-cyclohexylbutylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoyl chloride Openeye Name: 3-[2-[[(1S,2R,3S,4R)-3-[4-(4-cyclohexylbutylcarbamoyl)oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoyl chloride CAS Name: 3-[2-[[(1S,2R,3S,4R)-3-[4-[(4-cyclohexylbutylamino)-oxomethyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoyl chloride IUPAC Name: 3-[2-[[(1S,2R,3S,4R)-3-[4-(4-cyclohexylbutylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoyl chloride Traditional Name: 3-[2-[[(1S,2R,3S,4R)-3-[4-(4-cyclohexylbutylcarbamoyl)oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propionyl chloride Formula: C30H39ClN2O4 MolecularWeight: 527.09466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCNC(=O)C2=COC(=N2)C3C4CCC(C3CC5=CC=CC=C5CCC(=O)Cl)O4

Isomeric SMILES

C1CCC(CC1)CCCCNC(=O)C2=COC(=N2)[C@@H]3[C@H]4CC[C@@H]([C@@H]3CC5=CC=CC=C5CCC(=O)Cl)O4

InChI

InChI=1S/C30H39ClN2O4/c31-27(34)16-13-21-11-4-5-12-22(21)18-23-25-14-15-26(37-25)28(23)30-33-24(19-36-30)29(35)32-17-7-6-10-20-8-2-1-3-9-20/h4-5,11-12,19-20,23,25-26,28H,1-3,6-10,13-18H2,(H,32,35)/t23-,25-,26+,28-/m0/s1