(E)-8-(3-hexylimidazol-4-yl)-7-(hydroxymethyl)-8-oxidanyl-oct-4-enoate

Systemtic Name: (E)-8-(3-hexylimidazol-4-yl)-7-(hydroxymethyl)-8-oxidanyl-oct-4-enoate Openeye Name: (E)-8-(3-hexylimidazol-4-yl)-8-hydroxy-7-(hydroxymethyl)oct-4-enoate CAS Name: (E)-8-(3-hexyl-4-imidazolyl)-8-hydroxy-7-(hydroxymethyl)-4-octenoate IUPAC Name: (E)-8-(3-hexylimidazol-4-yl)-8-hydroxy-7-(hydroxymethyl)oct-4-enoate Traditional Name: (E)-8-(3-hexylimidazol-4-yl)-8-hydroxy-7-methylol-oct-4-enoate Formula: C18H29N2O4- MolecularWeight: 337.43386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=NC=C1C(C(CC=CCCC(=O)[O-])CO)O

Isomeric SMILES

CCCCCCN1C=NC=C1C(C(C/C=C/CCC(=O)[O-])CO)O

InChI

InChI=1S/C18H30N2O4/c1-2-3-4-8-11-20-14-19-12-16(20)18(24)15(13-21)9-6-5-7-10-17(22)23/h5-6,12,14-15,18,21,24H,2-4,7-11,13H2,1H3,(H,22,23)/p-1/b6-5+