Basic information
- Standard SMILES
COc1ccc(COC(=O)CCC(C)(C)NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
JSFWJPYFGSVJCM-UHFFFAOYSA-N- Molecular formula
- C22H26N2O7
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.17400117
Names & identifiers
- Preferred name
- 4-Methyl-4-p-nitrobenzyloxycarbonylaminovaleric acid p-methoxybenzyl ester
- IUPAC
- (4-methoxyphenyl)methyl 4-methyl-4-[(4-nitrophenyl)methoxycarbonylamino]pentanoate
Names & synonyms
SCHEMBL10636741JSFWJPYFGSVJCM-UHFFFAOYSA-N4-methyl-4-p-nitrobenzyloxycarbonylaminovaleric acid p-methoxybenzyl ester
Database identifiers
- PubChem CID
- 53971933
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 589
Related reactions
2 records
Compound notes
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