(Z)-but-2-enedioic acid;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Basic information
- CAS
53770-87-9- Standard SMILES
CC(C)NCC(O)COc1cccc2ccccc12.O=C(O)/C=C\C(=O)O- InChIKey
JSYNQOLURYNTHN-BTJKTKAUSA-N- Molecular formula
- C20H25NO6
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.16818752
Names & identifiers
- Preferred name
- (Z)-but-2-enedioic acid;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
- IUPAC
- (Z)-but-2-enedioic acid;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Names & synonyms
SCHEMBL28607754
Database identifiers
- CAS
53770-87-9- PubChem CID
- 175148828
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…