benzyl (S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

HCID 67078747
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Basic information

Standard SMILES
O=C(OCc1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1
InChIKey
XEOGRGKCLZMLGX-QFIPXVFZSA-N
Molecular formula
C23H21NO2
Average molar mass
343.4 g/mol

Names & identifiers

Preferred name
benzyl (S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
IUPAC
benzyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Names & synonyms

SCHEMBL1566253XEOGRGKCLZMLGX-QFIPXVFZSA-Nbenzyl (S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate(S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid benzyl ester

Database identifiers

PubChem CID
67078747
Nikkaji
J3.354.022A

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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