Cyclopentyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Basic information
- CAS
299450-82-1- Standard SMILES
CCOc1ccc(C2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1- InChIKey
RYXLVMWPFVPNRR-UHFFFAOYSA-N- Molecular formula
- C26H33NO4
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.24095853
Names & identifiers
- Preferred name
- Cyclopentyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- cyclopentyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- English name
- cyclopentyl 4-[4-(ethyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- Molecular formula
- C26H33NO4
- Molecular weight
- 423.54452
Names & synonyms
cyclopentyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateOprea1_126695Oprea1_486639AG-690/40082192STK363170AKOS001609028AKOS022065261cyclopentyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylateST013125SR-01000396668SR-01000396668-1299450-82-1
Show more names
cyclopentyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquino line-3-carboxylatecyclopentyl 4-[4-(ethyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Database identifiers
- CAS
299450-82-1- PubChem CID
- 2846946
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 779
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