Basic information
- CAS
303139-58-4- Standard SMILES
COc1cc(C2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(c2ccccc2)C3)ccc1OC(C)=O- InChIKey
QRMXUSYMBVBOCK-UHFFFAOYSA-N- Molecular formula
- C32H35NO6
- Average molar mass
- 529.6 g/mol
- Monoisotopic mass
- 529.24643784
Names & identifiers
- Preferred name
- cyclohexyl 4-(4-acetyloxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- IUPAC
- cyclohexyl 4-(4-acetyloxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- English name
- cyclohexyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- Molecular formula
- C32H35NO6
- Molecular weight
- 529.6234
Names & synonyms
cyclohexyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylatecyclohexyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateOprea1_298926Oprea1_464506STK364267AKOS000655144AKOS022068778cyclohexyl 4-(4-acetyloxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST50238582AG-690/119320034-[3-(cyclohexyloxycarbonyl)-2-methyl-5-oxo-7-phenyl(4-1,4,6,7,8-pentahydroqui nolyl)]-2-methoxyphenyl acetate
Database identifiers
- CAS
303139-58-4- PubChem CID
- 3116519
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,000
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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