AC1MCQ3O
2-O-benzyl 4-O-tert-butyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: Maybridge1_002051|Oprea1_851928|HMS547F05|2-BENZYL 4-(TERT-BUTYL) 3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE|2-O-benzyl 4-O-tert-butyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate|SR-01000638554-1|2-benzyl 4-tert-butyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate|1H-Pyrrole-2,4-dicarboxylicacid, 3-(3-methoxy-3-oxopropyl)-5-methyl-, 4-(1,1-dimethylethyl)2-(phenylmethyl) ester|2-BENZYL4- 3- -5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE|2-Benzyl 4-(tert-Butyl),3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate|2-benzyl 4-(tert-butyl)3-(3-methoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate|2-BENZYL4-(TERT-BUTYL)3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE
| Molecular Formula | C22H27NO6 |
|---|---|
| Molecular Weight | 401.18384 g/mol |
| LogP | 3.74102 |
| Topological Polar Surface Area | 94.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.18384 |
| Monoisotopic Mass | 401.18384 |
| Heavy Atoms | 29 |
| Complexity | 876.6977 |
Chemical Identifiers
| CAS Number | 53365-80-3 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC)C(=O)OC(C)(C)C |
Product Overview
AC1MCQ3O (CAS 53365-80-3), with molecular formula C22H27NO6 and molecular weight 401.18384 g/mol. IUPAC: 2-O-benzyl 4-O-tert-butyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate.