Basic information
- Standard SMILES
COC(=O)C(Nc1ccc(C#N)cc1)c1cc(OC)c(OCc2ccccc2)cc1N- InChIKey
DDTGUOPWUSQJGC-UHFFFAOYSA-N- Molecular formula
- C24H23N3O4
- Average molar mass
- 417.5 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-2-(4-cyanoanilino)acetate
- IUPAC
- methyl 2-(2-amino-5-methoxy-4-phenylmethoxyphenyl)-2-(4-cyanoanilino)acetate
Database identifiers
- PubChem CID
- 86756002
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 607
Related reactions
2 records
Compound notes
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