Basic information
- CAS
5805-16-3- Standard SMILES
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)C2c2ccc(-c3ccccc3)cc2)cc1- InChIKey
KWRLMPIRYMLKEJ-UHFFFAOYSA-N- Molecular formula
- C33H33NO4
- Average molar mass
- 507.6 g/mol
- Monoisotopic mass
- 507.24095853
Names & identifiers
- Preferred name
- (4-Methoxyphenyl)methyl 2,7,7-trimethyl-5-oxo-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
- IUPAC
- (4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxo-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
Names & synonyms
(4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxo-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate5805-16-34-methoxybenzyl 4-(4-biphenylyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_174545Oprea1_255591SCHEMBL12135812DTXSID60386711(4-Methoxyphenyl)methyl 4-([1,1'-biphenyl]-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateSTK407286AKOS000660451AKOS021989197EU-0004325
Show more names
SR-01000427702SR-01000427702-14-methoxybenzyl 4-(biphenyl-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Database identifiers
- CAS
5805-16-3- PubChem CID
- 2869892
- DTXSID
DTXSID60386711- ChEMBL
CHEMBL2180283
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 940
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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