[4-(nitrooxymethyl)phenyl] 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3R)-3-oxidanyl-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]amino]propanoate

Systemtic Name: [4-(nitrooxymethyl)phenyl] 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3R)-3-oxidanyl-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]amino]propanoate Openeye Name: [4-(nitrooxymethyl)phenyl] 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]amino]propanoate CAS Name: 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-1-oxohept-5-enyl]amino]propanoic acid [4-(nitrooxymethyl)phenyl] ester IUPAC Name: [4-(nitrooxymethyl)phenyl] 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]amino]propanoate Traditional Name: 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoyl]amino]propionic acid [4-(nitrooxymethyl)phenyl] ester Formula: C33H39F3N2O10 MolecularWeight: 680.66537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=C(C=C1)CO[N+](=O)[O-])NC(=O)CCCC=CCC2C(CC(C2C=CC(COC3=CC=CC(=C3)C(F)(F)F)O)O)O

Isomeric SMILES

CC(C(=O)OC1=CC=C(C=C1)CO[N+](=O)[O-])NC(=O)CCC/C=C\C[C@H]2[C@H](C[C@H]([C@@H]2/C=C/[C@H](COC3=CC=CC(=C3)C(F)(F)F)O)O)O

InChI

InChI=1S/C33H39F3N2O10/c1-21(32(43)48-25-14-11-22(12-15-25)19-47-38(44)45)37-31(42)10-5-3-2-4-9-27-28(30(41)18-29(27)40)16-13-24(39)20-46-26-8-6-7-23(17-26)33(34,35)36/h2,4,6-8,11-17,21,24,27-30,39-41H,3,5,9-10,18-20H2,1H3,(H,37,42)/b4-2-,16-13+/t21?,24-,27-,28-,29+,30-/m1/s1