[2-(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]ethanoate

Systemtic Name: [2-(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]ethanoate Openeye Name: [2-(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]acetate 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]acetic acid [2-(nitrooxymethyl)phenyl] ester IUPAC Name: [2-(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]acetate 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]acetic acid [2-(nitrooxymethyl)phenyl] ester Formula: C32H37F3N2O10 MolecularWeight: 666.63879

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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)NCC(=O)OC3=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)NCC(=O)OC3=CC=CC=C3CO[N+](=O)[O-])O

InChI

InChI=1S/C32H37F3N2O10/c33-32(34,35)22-9-7-10-24(16-22)45-20-23(38)14-15-26-25(27(39)17-28(26)40)11-3-1-2-4-13-30(41)36-18-31(42)47-29-12-6-5-8-21(29)19-46-37(43)44/h1,3,5-10,12,14-16,23,25-28,38-40H,2,4,11,13,17-20H2,(H,36,41)/b3-1-,15-14+/t23-,25-,26-,27+,28-/m1/s1