bis(prop-2-enyl) (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylamino]butanedioate

Systemtic Name: bis(prop-2-enyl) (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylamino]butanedioate Openeye Name: diallyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]butanedioate CAS Name: (2S)-2-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]-oxomethyl]amino]butanedioic acid bis(prop-2-enyl) ester IUPAC Name: bis(prop-2-enyl) (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]butanedioate Traditional Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]succinic acid diallyl ester Formula: C23H25N3O8 MolecularWeight: 471.4599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)NC(CC(=O)OCC=C)C(=O)OCC=C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)N[C@@H](CC(=O)OCC=C)C(=O)OCC=C)OC

InChI

InChI=1S/C23H25N3O8/c1-5-11-32-20(27)13-16(22(29)33-12-6-2)24-21(28)15-9-7-8-10-17(15)34-23-25-18(30-3)14-19(26-23)31-4/h5-10,14,16H,1-2,11-13H2,3-4H3,(H,24,28)/t16-/m0/s1