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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C=O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C=O)C(=O)OC(C)(C)C

InChI

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