(2S)-3,3-bis(4-chlorophenyl)-3-methoxy-2-(4-methylpyrimidin-2-yl)oxy-propanoate

Systemtic Name: (2S)-3,3-bis(4-chlorophenyl)-3-methoxy-2-(4-methylpyrimidin-2-yl)oxy-propanoate Openeye Name: (2S)-3,3-bis(4-chlorophenyl)-3-methoxy-2-(4-methylpyrimidin-2-yl)oxy-propanoate CAS Name: (2S)-3,3-bis(4-chlorophenyl)-3-methoxy-2-[(4-methyl-2-pyrimidinyl)oxy]propanoate IUPAC Name: (2S)-3,3-bis(4-chlorophenyl)-3-methoxy-2-(4-methylpyrimidin-2-yl)oxypropanoate Traditional Name: (2S)-3,3-bis(4-chlorophenyl)-3-methoxy-2-(4-methylpyrimidin-2-yl)oxy-propionate Formula: C21H17Cl2N2O4- MolecularWeight: 432.27668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O4/c1-13-11-12-24-20(25-13)29-18(19(26)27)21(28-2,14-3-7-16(22)8-4-14)15-5-9-17(23)10-6-15/h3-12,18H,1-2H3,(H,26,27)/p-1/t18-/m1/s1