(E)-7-[4-[[4-[(2S,4S,5R)-4-(2-hydroxyphenyl)-5-[(Z)-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-1,3-dioxan-2-yl]phenyl]methoxy]phenyl]-7-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: (E)-7-[4-[[4-[(2S,4S,5R)-4-(2-hydroxyphenyl)-5-[(Z)-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-1,3-dioxan-2-yl]phenyl]methoxy]phenyl]-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-7-[4-[[4-[(2S,4S,5R)-5-[(Z)-6-hydroxy-6-oxo-hex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]phenyl]methoxy]phenyl]-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-7-[4-[[4-[(2S,4S,5R)-5-[(Z)-6-hydroxy-6-oxohex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]phenyl]methoxy]phenyl]-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-7-[4-[[4-[(2S,4S,5R)-5-[(Z)-6-hydroxy-6-oxohex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]phenyl]methoxy]phenyl]-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-7-[4-[4-[(2S,4S,5R)-5-[(Z)-6-hydroxy-6-keto-hex-2-enyl]-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]benzyl]oxyphenyl]-7-(3-pyridyl)hept-6-enoic acid Formula: C41H43NO8 MolecularWeight: 677.78202

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(O1)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(=CCCCCC(=O)O)C4=CN=CC=C4)C5=CC=CC=C5O)CC=CCCC(=O)O

Isomeric SMILES

C1[C@H]([C@H](O[C@H](O1)C2=CC=C(C=C2)COC3=CC=C(C=C3)/C(=C\CCCCC(=O)O)/C4=CN=CC=C4)C5=CC=CC=C5O)C/C=C\CCC(=O)O

InChI

InChI=1S/C41H43NO8/c43-37-14-8-7-13-36(37)40-33(10-3-1-5-15-38(44)45)28-49-41(50-40)31-19-17-29(18-20-31)27-48-34-23-21-30(22-24-34)35(32-11-9-25-42-26-32)12-4-2-6-16-39(46)47/h1,3,7-9,11-14,17-26,33,40-41,43H,2,4-6,10,15-16,27-28H2,(H,44,45)(H,46,47)/b3-1-,35-12+/t33-,40+,41+/m1/s1