4-nitrooxybutyl 4-[2-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoyl]amino]propanoyloxy]-3-methoxy-benzoate

Systemtic Name: 4-nitrooxybutyl 4-[2-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoyl]amino]propanoyloxy]-3-methoxy-benzoate Openeye Name: 4-nitrooxybutyl 4-[2-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoyl]amino]propanoyloxy]-3-methoxy-benzoate CAS Name: 4-[2-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]-1-oxohept-5-enyl]amino]-1-oxopropoxy]-3-methoxybenzoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 4-[2-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoyl]amino]propanoyloxy]-3-methoxybenzoate Traditional Name: 4-[2-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoyl]amino]propanoyloxy]-3-methoxy-benzoic acid 4-nitrooxybutyl ester Formula: C37H46F2N2O12 MolecularWeight: 748.764146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H46F2N2O12/c1-25(35(45)53-32-17-16-26(22-33(32)49-2)36(46)50-20-10-11-21-52-41(47)48)40-34(44)15-9-4-3-8-14-28-29(31(43)23-30(28)42)18-19-37(38,39)24-51-27-12-6-5-7-13-27/h3,5-8,12-13,16-19,22,25,28-31,42-43H,4,9-11,14-15,20-21,23-24H2,1-2H3,(H,40,44)/b8-3-,19-18+/t25?,28-,29-,30+,31-/m1/s1