(RS)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-5-hydroxy-6-methoxy-3-isoquinolinecarboxylic acid, ethyl ester

HCID 15296729

Basic information

Standard SMILES
CCOC(=O)C1Cc2c(ccc(OC)c2O)CN1C(=O)C(c1ccccc1)c1ccccc1
InChIKey
GLSDCSJFNRKEDM-UHFFFAOYSA-N
Molecular formula
C27H27NO5
Average molar mass
445.5 g/mol

Names & identifiers

Preferred name
(RS)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-5-hydroxy-6-methoxy-3-isoquinolinecarboxylic acid, ethyl ester
IUPAC
ethyl 2-(2,2-diphenylacetyl)-5-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate

Names & synonyms

SCHEMBL28464301SCHEMBL30428426GLSDCSJFNRKEDM-UHFFFAOYSA-N(RS)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-5-hydroxy -6-methoxy-3-isoquinolinecarboxylic acid, ethyl ester(RS)-2-(Diphenylacetyl)-1,2,3,4-tetrahydro-5-hydroxy-6-methoxy-3-isoquinolinecarboxylic acid, ethyl ester

Database identifiers

PubChem CID
15296729

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
76.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
33

Related reactions

7 records

Linked notes

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