(2S)-3-(2-cyclohexylethoxy)-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoate

Systemtic Name: (2S)-3-(2-cyclohexylethoxy)-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoate Openeye Name: (2S)-3-(2-cyclohexylethoxy)-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoate CAS Name: (2S)-3-(2-cyclohexylethoxy)-2-[(4-methyl-2-pyrimidinyl)oxy]-3,3-diphenylpropanoate IUPAC Name: (2S)-3-(2-cyclohexylethoxy)-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoate Traditional Name: (2S)-3-(2-cyclohexylethoxy)-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenyl-propionate Formula: C28H31N2O4- MolecularWeight: 459.55674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)OC(C(=O)[O-])C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCC4CCCCC4

Isomeric SMILES

CC1=NC(=NC=C1)O[C@H](C(=O)[O-])C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCC4CCCCC4

InChI

InChI=1S/C28H32N2O4/c1-21-17-19-29-27(30-21)34-25(26(31)32)28(23-13-7-3-8-14-23,24-15-9-4-10-16-24)33-20-18-22-11-5-2-6-12-22/h3-4,7-10,13-17,19,22,25H,2,5-6,11-12,18,20H2,1H3,(H,31,32)/p-1/t25-/m1/s1