ST083331

Substructure search Find similar structures

Basic information

CAS: 5708-82-7
Standard SMILES: CCOc1ccccc1C1C(C(=O)OCC2CCCO2)=C(C)NC2=C1C(=O)CC(C)(C)C2
InChIKey: LSYYKARBUHEXHS-UHFFFAOYSA-N
Molecular formula: C26H33NO5
Average molar mass: 439.5 g/mol
Monoisotopic mass: 439.23587315

Names & identifiers

Preferred name: ST083331
IUPAC: oxolan-2-ylmethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

Names & synonyms

ST0833315708-82-7DTXSID00386457RefChem:381461DTXCID50337479tetrahydrofuran-2-ylmethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate(OXOLAN-2-YL)METHYL 4-(2-ETHOXYPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATEtetrahydro-2-furanylmethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_105167Oprea1_341664oxolan-2-ylmethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylateSTK377092

Show more names

AKOS000658830AKOS021988482AB00094294-01AG-205/12538042SR-01000422480SR-01000422480-1oxolan-2-ylmethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydr oquinoline-3-carboxylate

Database identifiers

CAS: 5708-82-7
PubChem CID: 2863548
DTXSID: DTXSID00386457

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 73.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 811

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…