Basic information
- Standard SMILES
COC(=O)c1ccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C#N)c1- InChIKey
XCFAGEDUNSEMSQ-UHFFFAOYSA-N- Molecular formula
- C20H26N2O6
- Average molar mass
- 390.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-cyano-4-(n,n-bis(t-butoxycarbonyl)aminomethyl)benzoate
- IUPAC
- methyl 4-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-cyanobenzoate
Names & synonyms
SCHEMBL6540511XCFAGEDUNSEMSQ-UHFFFAOYSA-Nmethyl 3-cyano-4-(n,n-bis(t-butoxycarbonyl)aminomethyl)benzoatemethyl 3-cyano-4-(n,n-bis-(t-butoxycarbonyl)aminomethyl)benzoatemethyl 3-cyano-4-[(n,n-bis(t-butoxycarbonyl)amino)-methyl]benzoatemethyl 3-cyano-4-[(n,n-bis(t-butoxycarbonyl)amino)methyl]benzoate
Database identifiers
- PubChem CID
- 23450331
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 609
Related reactions
4 records
Compound notes
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