2-Nonenoic acid, 1-((1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2)-
Basic information
- CAS
84916-40-5- Standard SMILES
CCCCCC/C=C/C(=O)OC(CN1CCN(c2ccccn2)CC1)CN1C(=O)C2CC=CCC2C1=O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
MMOYJCBKCMIWON-FCJNWOMKSA-N- Molecular formula
- C37H48N4O12
- Average molar mass
- 740.8 g/mol
- Monoisotopic mass
- 740.32687298
Names & identifiers
- Preferred name
- 2-Nonenoic acid, 1-((1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2)-
- IUPAC
- bis((E)-but-2-enedioic acid);[1-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] (E)-non-2-enoate
Names & synonyms
84916-40-5RefChem:10639422-Nonenoic acid, 1-((1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2)-2-Nonenoic acid, 1-((1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2) -
Database identifiers
- CAS
84916-40-5- PubChem CID
- 6448271
Properties
Computed structural properties
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 17
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 929
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…