Basic information
- Standard SMILES
CCOC(=O)C=C(CC(=O)OCC)NCc1ccccc1- InChIKey
YCFVNHSYPSXNMS-UHFFFAOYSA-N- Molecular formula
- C16H21NO4
- Average molar mass
- 291.34 g/mol
Names & identifiers
- Preferred name
- Diethyl 3-benzylamino-2-pentenedioate
- IUPAC
- diethyl 3-(benzylamino)pent-2-enedioate
Names & synonyms
SCHEMBL10371407YCFVNHSYPSXNMS-UHFFFAOYSA-Ndiethyl 3-benzylamino-2-pentenedioate3-Benzylamino-2-pentenedioic acid diethyl ester
Database identifiers
- PubChem CID
- 70353029
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Related reactions
10 records
Compound notes
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