AC1NEU6I
methyl 4-[3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: AK-968/41021411|methyl 4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|methyl 4-[3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|methyl 4-(3-((2-chlorophenoxy)methyl)-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|methyl 4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C28H30ClNO5 |
|---|---|
| Molecular Weight | 495.18124 g/mol |
| LogP | 5.7046 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.18124 |
| Monoisotopic Mass | 495.18124 |
| Heavy Atoms | 35 |
| Complexity | 1243.6588 |
Chemical Identifiers
| CAS Number | 445032-70-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4Cl)C(=O)OC |
Product Overview
AC1NEU6I (CAS 445032-70-2), with molecular formula C28H30ClNO5 and molecular weight 495.18124 g/mol. IUPAC: methyl 4-[3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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