AC1NZDR7
methyl 4-[(3E)-3-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-4,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(4-hydroxy-3-(4-((3-methylbenzyl)oxy)benzoyl)-5-oxo-1-(pyridin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate|methyl 4-[(3E)-3-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-4,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzoate|methyl 4-[(3E)-3-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-4,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzoate
| Molecular Formula | C33H28N2O6 |
|---|---|
| Molecular Weight | 548.19476 g/mol |
| LogP | 5.37752 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.19476 |
| Monoisotopic Mass | 548.19476 |
| Heavy Atoms | 41 |
| Complexity | 1612.0686 |
Chemical Identifiers
| CAS Number | 836624-75-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)COC2=CC=C(C=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CC=NC=C4)C5=CC=C(C=C5)C(=O)OC)/O |
Product Overview
AC1NZDR7 (CAS 836624-75-0), with molecular formula C33H28N2O6 and molecular weight 548.19476 g/mol. IUPAC: methyl 4-[(3E)-3-[hydroxy-[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-4,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzoate.