(E)-6-[(2R,4R,5S)-2-[2-(4-methyl-3-nitro-phenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid

Systemtic Name: (E)-6-[(2R,4R,5S)-2-[2-(4-methyl-3-nitro-phenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Openeye Name: (E)-6-[(2R,4R,5S)-2-[1-methyl-1-(4-methyl-3-nitro-phenoxy)ethyl]-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid CAS Name: (E)-6-[(2R,4R,5S)-2-[2-(4-methyl-3-nitrophenoxy)propan-2-yl]-4-(3-pyridinyl)-1,3-dioxan-5-yl]-4-hexenoic acid IUPAC Name: (E)-6-[(2R,4R,5S)-2-[2-(4-methyl-3-nitrophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Traditional Name: (E)-6-[(2R,4R,5S)-2-[1-methyl-1-(4-methyl-3-nitro-phenoxy)ethyl]-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid Formula: C25H30N2O7 MolecularWeight: 470.5149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)(C)C2OCC(C(O2)C3=CN=CC=C3)CC=CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)(C)[C@@H]2OC[C@@H]([C@@H](O2)C3=CN=CC=C3)C/C=C/CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H30N2O7/c1-17-11-12-20(14-21(17)27(30)31)34-25(2,3)24-32-16-19(8-5-4-6-10-22(28)29)23(33-24)18-9-7-13-26-15-18/h4-5,7,9,11-15,19,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4+/t19-,23-,24+/m0/s1