AC1M2YKS
4-[[(3E)-5-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylidene]-2-oxopyrrol-1-yl]methyl]benzoic acid
Also Known As: 4-{[(3E)-5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]methyl}benzoic acid|(E)-4-((5-(4-chlorophenyl)-3-(4-ethoxybenzylidene)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)methyl)benzoic acid|4-[[(3E)-5-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylidene]-2-oxopyrrol-1-yl]methyl]benzoic acid|4-[[5-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylidene]-2-oxo-pyrrol-1-yl]methyl]benzoic Acid
| Molecular Formula | C27H22ClNO4 |
|---|---|
| Molecular Weight | 459.12375 g/mol |
| LogP | 5.9038 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.12375 |
| Monoisotopic Mass | 459.12375 |
| Heavy Atoms | 33 |
| Complexity | 1226.6228 |
Chemical Identifiers
| CAS Number | 690963-97-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=C/2\C=C(N(C2=O)CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl |
Product Overview
AC1M2YKS (CAS 690963-97-4), with molecular formula C27H22ClNO4 and molecular weight 459.12375 g/mol. IUPAC: 4-[[(3E)-5-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylidene]-2-oxopyrrol-1-yl]methyl]benzoic acid.
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