(phenylmethyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-[3-(dimethylamino)prop-1-ynyl]benzoate

Systemtic Name: (phenylmethyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-[3-(dimethylamino)prop-1-ynyl]benzoate Openeye Name: benzyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-[3-(dimethylamino)prop-1-ynyl]benzoate CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[3-(dimethylamino)prop-1-ynyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-[3-(dimethylamino)prop-1-ynyl]benzoate Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-[3-(dimethylamino)prop-1-ynyl]benzoic acid benzyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(C)CC#CC1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O5/c1-28(2)15-9-13-19-12-8-14-20(33-25-26-21(30-3)16-22(27-25)31-4)23(19)24(29)32-17-18-10-6-5-7-11-18/h5-8,10-12,14,16H,15,17H2,1-4H3