1-Phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid 2-benzylquinuclidin-3-yl ester

HCID 67079110
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Basic information

Standard SMILES
O=C(OC1C2CCN(CC2)C1Cc1ccccc1)N1CCc2ccccc2C1c1ccccc1
InChIKey
STJRGPUMOXGBCC-UHFFFAOYSA-N
Molecular formula
C30H32N2O2
Average molar mass
452.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL1566990STJRGPUMOXGBCC-UHFFFAOYSA-N1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid 2-benzylquinuclidin-3-yl ester

Database identifiers

PubChem CID
67079110

Properties

Computed structural properties

XLogP
6
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
34

Related reactions

1 records
New reaction record

Linked notes

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