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

Systemtic Name: O2-tert-butyl O4-ethyl 5-methanoyl-3-(3-phenylpropyl)-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-formyl-3-(3-phenylpropyl)-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-formyl-3-(3-phenylpropyl)-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-(3-phenylpropyl)-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-formyl-3-(3-phenylpropyl)-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1CCCC2=CC=CC=C2)C(=O)OC(C)(C)C)C=O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1CCCC2=CC=CC=C2)C(=O)OC(C)(C)C)C=O

InChI

InChI=1S/C22H27NO5/c1-5-27-20(25)18-16(13-9-12-15-10-7-6-8-11-15)19(23-17(18)14-24)21(26)28-22(2,3)4/h6-8,10-11,14,23H,5,9,12-13H2,1-4H3