(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-butanoate

Systemtic Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-butanoate Openeye Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-butanoate CAS Name: (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3,3-diphenylbutanoate IUPAC Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenylbutanoate Traditional Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-butyrate Formula: C22H21N2O3- MolecularWeight: 361.41374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-15-14-16(2)24-21(23-15)27-19(20(25)26)22(3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/p-1/t19-/m1/s1