2-benzyl-6-butyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester

HCID 44451850
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCc1ccc2c(=O)n(Cc3ccccc3)c(C(=O)OC)c(-c3ccccc3)c2c1
InChIKey
SXNMTEIOBFLRRN-UHFFFAOYSA-N
Molecular formula
C28H27NO3
Average molar mass
425.5 g/mol

Names & identifiers

Preferred name
2-benzyl-6-butyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester
IUPAC
methyl 2-benzyl-6-butyl-1-oxo-4-phenylisoquinoline-3-carboxylate

Names & synonyms

CHEMBL261086SCHEMBL4712056SXNMTEIOBFLRRN-UHFFFAOYSA-NBDBM503731982-benzyl-6-butyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester

Database identifiers

PubChem CID
44451850
ChEMBL
CHEMBL261086

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

Loading…