methyl (E,5S,6R)-5,6-bis(oxidanyl)-8-[4-[(1S)-1-oxidanylhexyl]pyridin-3-yl]oct-7-enoate

Systemtic Name: methyl (E,5S,6R)-5,6-bis(oxidanyl)-8-[4-[(1S)-1-oxidanylhexyl]pyridin-3-yl]oct-7-enoate Openeye Name: methyl (E,5S,6R)-5,6-dihydroxy-8-[4-[(1S)-1-hydroxyhexyl]-3-pyridyl]oct-7-enoate CAS Name: (E,5S,6R)-5,6-dihydroxy-8-[4-[(1S)-1-hydroxyhexyl]-3-pyridinyl]-7-octenoic acid methyl ester IUPAC Name: methyl (E,5S,6R)-5,6-dihydroxy-8-[4-[(1S)-1-hydroxyhexyl]pyridin-3-yl]oct-7-enoate Traditional Name: (E,5S,6R)-5,6-dihydroxy-8-[4-[(1S)-1-hydroxyhexyl]-3-pyridyl]oct-7-enoic acid methyl ester Formula: C20H31NO5 MolecularWeight: 365.46384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(C=NC=C1)C=CC(C(CCCC(=O)OC)O)O)O

Isomeric SMILES

CCCCC[C@@H](C1=C(C=NC=C1)/C=C/[C@H]([C@H](CCCC(=O)OC)O)O)O

InChI

InChI=1S/C20H31NO5/c1-3-4-5-7-17(22)16-12-13-21-14-15(16)10-11-19(24)18(23)8-6-9-20(25)26-2/h10-14,17-19,22-24H,3-9H2,1-2H3/b11-10+/t17-,18-,19+/m0/s1