[1-(4-Methoxy-benzyl)-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]-acetic acid tert-butyl ester

HCID 69009889
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Basic information

Standard SMILES
COc1ccc(CN2C(=O)C(CC(=O)OC(C)(C)C)Cc3ccccc32)cc1
InChIKey
DWHCOESPMQCOSM-UHFFFAOYSA-N
Molecular formula
C23H27NO4
Average molar mass
381.5 g/mol
Monoisotopic mass
381.19400834

Names & identifiers

Preferred name
[1-(4-Methoxy-benzyl)-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]-acetic acid tert-butyl ester
IUPAC
tert-butyl 2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]acetate

Names & synonyms

SCHEMBL4344066DWHCOESPMQCOSM-UHFFFAOYSA-N[1-(4-methoxy-benzyl)-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]-acetic acid tert-butyl ester

Database identifiers

PubChem CID
69009889

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
28

Related reactions

5 records
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Compound notes

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