5-nitrooxypentyl (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate

Systemtic Name: 5-nitrooxypentyl (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate Openeye Name: 5-nitrooxypentyl (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 5-nitrooxypentyl ester IUPAC Name: 5-nitrooxypentyl (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 5-nitrooxypentyl ester Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O7/c1-20-19-21(2)29-26(28-20)37-24(25(31)35-17-11-6-12-18-36-30(32)33)27(34-3,22-13-7-4-8-14-22)23-15-9-5-10-16-23/h4-5,7-10,13-16,19,24H,6,11-12,17-18H2,1-3H3/t24-/m1/s1