AC1MEHQS
benzyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: Oprea1_486827|Oprea1_584268|BAS 00111584|benzyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|SR-01000403604-1|benzyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|benzyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate|phenylmethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,7,8-pentahydroquinoline-3-ca rboxylate
| Molecular Formula | C26H27NO3 |
|---|---|
| Molecular Weight | 401.1991 g/mol |
| LogP | 5.034 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.1991 |
| Monoisotopic Mass | 401.1991 |
| Heavy Atoms | 30 |
| Complexity | 1032.4631 |
Chemical Identifiers
| CAS Number | 299451-33-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 |
Product Overview
AC1MEHQS (CAS 299451-33-5), with molecular formula C26H27NO3 and molecular weight 401.1991 g/mol. IUPAC: benzyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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