(E)-7-[3-[[2-(hexylamino)ethanoylamino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[3-[[2-(hexylamino)ethanoylamino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Openeye Name: (E)-7-[3-[[[2-(hexylamino)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid CAS Name: (E)-7-[3-[[[2-(hexylamino)-1-oxoethyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid IUPAC Name: (E)-7-[3-[[[2-(hexylamino)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Traditional Name: (E)-7-[3-[[[2-(hexylamino)acetyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Formula: C22H38N2O4 MolecularWeight: 394.54812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC(=O)NCC1C2CCC(C1CC=CCCCC(=O)O)O2

Isomeric SMILES

CCCCCCNCC(=O)NCC1C2CCC(C1C/C=C/CCCC(=O)O)O2

InChI

InChI=1S/C22H38N2O4/c1-2-3-4-9-14-23-16-21(25)24-15-18-17(19-12-13-20(18)28-19)10-7-5-6-8-11-22(26)27/h5,7,17-20,23H,2-4,6,8-16H2,1H3,(H,24,25)(H,26,27)/b7-5+