(1RS)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid (3R)-quinuclidin-3-yl ester

HCID 44404147
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Basic information

Standard SMILES
O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1
InChIKey
FBOUYBDGKBSUES-HMTLIYDFSA-N
Molecular formula
C23H26N2O2
Average molar mass
362.5 g/mol

Names & identifiers

Preferred name
(1RS)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid (3R)-quinuclidin-3-yl ester
IUPAC
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Names & synonyms

CHEMBL4398672(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-,(3R)-1-azabicyclo[2.2.2]oct-3-yl ester, (1S)-(1RS)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid (3R)-quinuclidin-3-yl ester(3R)-1-azabicyclo[2.2.2]octan-3-yl 1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate869883-94-3SCHEMBL1478523SCHEMBL1566459FBOUYBDGKBSUES-HMTLIYDFSA-NBDBM50175570EBC-12343EN300-27070304[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Show more names
[(3R)-quinuclidin-3-yl] 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate(S)-1-Phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester1-Phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester

Database identifiers

PubChem CID
44404147
ChEMBL
CHEMBL439867

Properties

Computed structural properties

XLogP
4
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
27

Related reactions

1 records
New reaction record

Compound notes

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