[3-(nitrooxymethyl)phenyl] (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate

Systemtic Name: [3-(nitrooxymethyl)phenyl] (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate Openeye Name: [3-(nitrooxymethyl)phenyl] (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate CAS Name: (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3-methoxy-3,3-diphenylpropanoic acid [3-(nitrooxymethyl)phenyl] ester IUPAC Name: [3-(nitrooxymethyl)phenyl] (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoate Traditional Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propionic acid [3-(nitrooxymethyl)phenyl] ester Formula: C29H27N3O7 MolecularWeight: 529.54058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)OC(C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-])C(C3=CC=CC=C3)(C4=CC=CC=C4)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)O[C@H](C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-])C(C3=CC=CC=C3)(C4=CC=CC=C4)OC)C

InChI

InChI=1S/C29H27N3O7/c1-20-17-21(2)31-28(30-20)39-26(27(33)38-25-16-10-11-22(18-25)19-37-32(34)35)29(36-3,23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-18,26H,19H2,1-3H3/t26-/m1/s1