Basic information
- Standard SMILES
COC(=O)c1ccc(CNCC(=O)OCCC(=O)c2ccc(Cl)cc2)c(N)c1- InChIKey
UJRUTLNKILHFTE-UHFFFAOYSA-N- Molecular formula
- C20H21ClN2O5
- Average molar mass
- 404.8 g/mol
- Monoisotopic mass
- 404.1138995
Names & identifiers
- Preferred name
- Methyl 4-[((4-chlorobenzoyl)ethoxycarbonylmethylamino)methyl]-3-aminobenzoate
- IUPAC
- methyl 3-amino-4-[[[2-[3-(4-chlorophenyl)-3-oxopropoxy]-2-oxoethyl]amino]methyl]benzoate
Names & synonyms
SCHEMBL6779075UJRUTLNKILHFTE-UHFFFAOYSA-Nmethyl 4-[((4-chlorobenzoyl)ethoxycarbonylmethylamino)methyl]-3-aminobenzoate
Database identifiers
- PubChem CID
- 69893404
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 537
Related reactions
2 records
Compound notes
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