2-Phenylethyl 4-(4-(acetyloxy)-3-methoxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-3-quinolinecarboxylate
Basic information
- CAS
347320-57-4- Standard SMILES
COc1cc(C2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O- InChIKey
GFOWUTQLFNYSQE-UHFFFAOYSA-N- Molecular formula
- C30H33NO6
- Average molar mass
- 503.6 g/mol
- Monoisotopic mass
- 503.23078777
Names & identifiers
- Preferred name
- 2-Phenylethyl 4-(4-(acetyloxy)-3-methoxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-3-quinolinecarboxylate
- IUPAC
- 2-phenylethyl 4-(4-acetyloxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Names & synonyms
347320-57-42-Phenylethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-3-quinolinecarboxylate2-Phenylethyl 4-(4-(acetyloxy)-3-methoxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-3-quinolinecarboxylateRefChem:2653492-phenylethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateChemDiv1_018144Oprea1_224421HMS638I16DTXSID301106941STK036698AKOS003269976AKOS022083192
Show more names
ST50724451SR-01000533413SR-01000533413-12-methoxy-4-{2,7,7-trimethyl-5-oxo-3-[(2-phenylethyl)oxycarbonyl](4-1,4,6,7,8- pentahydroquinolyl)}phenyl acetate2-phenylethyl 4-(4-acetyloxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate2-phenylethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Database identifiers
- CAS
347320-57-4- PubChem CID
- 2872913
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 957
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