AC1MD1D3
methyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: Oprea1_439687|Oprea1_620863|BAS 00380987|methyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|AG-664/02680011|AG-690/36279045|SR-01000402986-1|methyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|methyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|methyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline- 3-carboxylate
| Molecular Formula | C22H27NO4 |
|---|---|
| Molecular Weight | 369.194 g/mol |
| LogP | 3.8623 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.194 |
| Monoisotopic Mass | 369.194 |
| Heavy Atoms | 27 |
| Complexity | 830.37366 |
Chemical Identifiers
| CAS Number | 5136-12-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C |
Product Overview
AC1MD1D3 (CAS 5136-12-9), with molecular formula C22H27NO4 and molecular weight 369.194 g/mol. IUPAC: methyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.