O4-(3,3-dimethylbutan-2-yl) O2-pyrimidin-4-yl 3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-(3,3-dimethylbutan-2-yl) O2-pyrimidin-4-yl 3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-pyrimidin-4-yl O4-(1,2,2-trimethylpropyl) 3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-(3,3-dimethylbutan-2-yl) ester O2-(4-pyrimidinyl) ester IUPAC Name: 4-O-(3,3-dimethylbutan-2-yl) 2-O-pyrimidin-4-yl 3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-(4-pyrimidyl) ester O4-(1,2,2-trimethylpropyl) ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=C1C(=O)OC(C)C(C)(C)C)C(=O)OC2=NC=NC=C2

Isomeric SMILES

CC1=C(NC=C1C(=O)OC(C)C(C)(C)C)C(=O)OC2=NC=NC=C2

InChI

InChI=1S/C17H21N3O4/c1-10-12(15(21)23-11(2)17(3,4)5)8-19-14(10)16(22)24-13-6-7-18-9-20-13/h6-9,11,19H,1-5H3