4-nitrooxybutyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate

Systemtic Name: 4-nitrooxybutyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate Openeye Name: 4-nitrooxybutyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate CAS Name: (2S)-2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-methoxy-3,3-diphenylpropanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoate Traditional Name: (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propionic acid 4-nitrooxybutyl ester Formula: C26H29N3O9 MolecularWeight: 527.52316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC(C(=O)OCCCCO[N+](=O)[O-])C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)O[C@H](C(=O)OCCCCO[N+](=O)[O-])C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C26H29N3O9/c1-33-21-18-22(34-2)28-25(27-21)38-23(24(30)36-16-10-11-17-37-29(31)32)26(35-3,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,18,23H,10-11,16-17H2,1-3H3/t23-/m1/s1