[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]methyl]phenyl]methyl nitrate

Systemtic Name: [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]methyl]phenyl]methyl nitrate Openeye 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]methyl]phenyl]methyl nitrate CAS Name: nitric acid [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]methyl]phenyl]methyl ester IUPAC 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]methyl]phenyl]methyl nitrate Traditional Name: nitric acid [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]methyl]benzyl] ester Formula: C31H37F3N2O8 MolecularWeight: 622.62929

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1O)C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)CC=CCCCC(=O)NCC3=CC=CC=C3CO[N+](=O)[O-])O

Isomeric SMILES

C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)C/C=C\CCCC(=O)NCC3=CC=CC=C3CO[N+](=O)[O-])O

InChI

InChI=1S/C31H37F3N2O8/c32-31(33,34)23-10-7-11-25(16-23)43-20-24(37)14-15-27-26(28(38)17-29(27)39)12-3-1-2-4-13-30(40)35-18-21-8-5-6-9-22(21)19-44-36(41)42/h1,3,5-11,14-16,24,26-29,37-39H,2,4,12-13,17-20H2,(H,35,40)/b3-1-,15-14+/t24-,26-,27-,28+,29-/m1/s1