(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-bis(4-fluorophenyl)-3-pentoxy-propanoate

Systemtic Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-bis(4-fluorophenyl)-3-pentoxy-propanoate Openeye Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-bis(4-fluorophenyl)-3-pentoxy-propanoate CAS Name: (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3,3-bis(4-fluorophenyl)-3-pentoxypropanoate IUPAC Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-bis(4-fluorophenyl)-3-pentoxypropanoate Traditional Name: (2S)-3-amoxy-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-bis(4-fluorophenyl)propionate Formula: C26H27F2N2O4- MolecularWeight: 469.500386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)C(C(=O)[O-])OC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCCOC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)[C@@H](C(=O)[O-])OC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C26H28F2N2O4/c1-4-5-6-15-33-26(19-7-11-21(27)12-8-19,20-9-13-22(28)14-10-20)23(24(31)32)34-25-29-17(2)16-18(3)30-25/h7-14,16,23H,4-6,15H2,1-3H3,(H,31,32)/p-1/t23-/m1/s1