3-[1-[3-[[(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]propyl]piperidin-4-yl]propyl nitrate

Systemtic Name: 3-[1-[3-[[(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]propyl]piperidin-4-yl]propyl nitrate Openeye Name: 3-[1-[3-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoyl]amino]propyl]-4-piperidyl]propyl nitrate CAS Name: nitric acid 3-[1-[3-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]-1-oxohept-5-enyl]amino]propyl]-4-piperidinyl]propyl ester IUPAC Name: 3-[1-[3-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoyl]amino]propyl]piperidin-4-yl]propyl nitrate Traditional Name: nitric acid 3-[1-[3-[[(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoyl]amino]propyl]-4-piperidyl]propyl ester Formula: C33H49F2N3O7 MolecularWeight: 637.754866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCO[N+](=O)[O-])CCCNC(=O)CCCC=CCC2C(CC(C2C=CC(COC3=CC=CC=C3)(F)F)O)O

Isomeric SMILES

C1CN(CCC1CCCO[N+](=O)[O-])CCCNC(=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/C33H49F2N3O7/c34-33(35,25-44-27-11-4-3-5-12-27)18-15-29-28(30(39)24-31(29)40)13-6-1-2-7-14-32(41)36-19-9-20-37-21-16-26(17-22-37)10-8-23-45-38(42)43/h1,3-6,11-12,15,18,26,28-31,39-40H,2,7-10,13-14,16-17,19-25H2,(H,36,41)/b6-1-,18-15+/t28-,29-,30+,31-/m1/s1