O4-[(4-tert-butylphenyl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[(4-tert-butylphenyl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[(4-tert-butylphenyl)methyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[(4-tert-butylphenyl)methyl] ester O2-ethyl ester IUPAC Name: 4-O-[(4-tert-butylphenyl)methyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-(4-tert-butylbenzyl) ester O2-ethyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C21H27NO4/c1-7-25-20(24)18-13(2)17(14(3)22-18)19(23)26-12-15-8-10-16(11-9-15)21(4,5)6/h8-11,22H,7,12H2,1-6H3