Methyl 3-cyano-4-(n,n-bis(t-butoxycarbonyl)aminomethyl)benzoate

HCID 23450331

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

Related reactions

4 records

Compound notes

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