Basic information
- Standard SMILES
C.COC(=O)C(OC(C)(C)C)c1c(-c2ccc3c(c2C)CCCO3)c2ccc(O)cc2c(=O)n1C- InChIKey
YZUBOXZEAMIXPB-UHFFFAOYSA-N- Molecular formula
- C28H35NO6
- Average molar mass
- 481.6 g/mol
- Monoisotopic mass
- 481.24643784
Names & identifiers
- Preferred name
- methane;methyl 2-[7-hydroxy-2-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-oxoisoquinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
- IUPAC
- methane;methyl 2-[7-hydroxy-2-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-oxoisoquinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
Names & synonyms
YZUBOXZEAMIXPB-UHFFFAOYSA-Ntert-Butoxy-[7-hydroxy-2-methyl-4-(5-methyl-chroman-6-yl)-1-oxo-1,2-dihydro-isoquinolin-3-yl]-acetic acid methyl ester; compound with methane
Database identifiers
- PubChem CID
- 86700720
Properties
Computed structural properties
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 816
Related reactions
1 records
Compound notes
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