O4-tert-butyl O2-(phenylmethyl) 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-(phenylmethyl) 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-benzyl O4-tert-butyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-tert-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 4-O-tert-butyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-benzyl ester O4-tert-butyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC(C)(C)C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC(C)(C)C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO4/c1-6-15-16(18(22)25-20(3,4)5)13(2)21-17(15)19(23)24-12-14-10-8-7-9-11-14/h7-11,21H,6,12H2,1-5H3