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

Systemtic Name: 4-nitrooxybutyl (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate Openeye Name: 4-nitrooxybutyl (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 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (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 4-nitrooxybutyl ester Formula: C26H29N3O7 MolecularWeight: 495.52436

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H29N3O7/c1-19-18-20(2)28-25(27-19)36-23(24(30)34-16-10-11-17-35-29(31)32)26(33-3,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-9,12-15,18,23H,10-11,16-17H2,1-3H3/t23-/m1/s1