AC1ME3DB
benzyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: CBMicro_020933|Oprea1_160899|Oprea1_782112|CCG-8514|BAS 00410617|BIM-0020809.P001|AG-690/10376017|SR-01000403655-1|benzyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|benzyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|phenylmethyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|phenylmethyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquin oline-3-carboxylate
| Molecular Formula | C26H26ClNO3 |
|---|---|
| Molecular Weight | 435.16013 g/mol |
| LogP | 5.6874 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.16013 |
| Monoisotopic Mass | 435.16013 |
| Heavy Atoms | 31 |
| Complexity | 1098.645 |
Chemical Identifiers
| CAS Number | 299451-31-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4 |
Product Overview
AC1ME3DB (CAS 299451-31-3), with molecular formula C26H26ClNO3 and molecular weight 435.16013 g/mol. IUPAC: benzyl 4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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