O2-tert-butyl O4-ethyl 5-methanoyl-3-phenethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-methanoyl-3-phenethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-formyl-3-phenethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-formyl-3-phenethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-formyl-3-phenethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-formyl-3-phenethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1CCC2=CC=CC=C2)C(=O)OC(C)(C)C)C=O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1CCC2=CC=CC=C2)C(=O)OC(C)(C)C)C=O

InChI

InChI=1S/C21H25NO5/c1-5-26-19(24)17-15(12-11-14-9-7-6-8-10-14)18(22-16(17)13-23)20(25)27-21(2,3)4/h6-10,13,22H,5,11-12H2,1-4H3