Basic information
- Standard SMILES
COC(=O)c1c(-c2ccccc2)c2cc(C)ccc2c(=O)n1Cc1ccccc1- InChIKey
ZYGDXLQKBOUTEK-UHFFFAOYSA-N- Molecular formula
- C25H21NO3
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.15214353
Names & identifiers
- Preferred name
- 2-benzyl-6-methyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Ester
- IUPAC
- methyl 2-benzyl-6-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate
Names & synonyms
CHEMBL411635SCHEMBL4711224ZYGDXLQKBOUTEK-UHFFFAOYSA-NBDBM503732172-benzyl-6-methyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic Acid Methyl Estermethyl 2-benzyl-6-methyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylate
Database identifiers
- PubChem CID
- 44451882
- ChEMBL
CHEMBL411635
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 642
Related reactions
2 records
Compound notes
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