Methanone, (1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)(4-methoxyphenyl)-, (E)-2-butenedioate
Basic information
- CAS
76362-13-5- Standard SMILES
COc1ccc(C(=O)C2CCN(CC3COc4ccccc4O3)CC2)cc1.O=C(O)/C=C/C(=O)O- InChIKey
YVCJQVSZVQRMQV-WLHGVMLRSA-N- Molecular formula
- C26H29NO8
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 483.18931688
Names & identifiers
- Preferred name
- Methanone, (1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)(4-methoxyphenyl)-, (E)-2-butenedioate
- IUPAC
- (E)-but-2-enedioic acid;[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
- English name
- but-2-enedioic acid, [1-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl methyl)-4-piperidyl]-(4-methoxyphenyl)methanone
- Molecular formula
- C26H29NO8
- Molecular weight
- 483.52
Names & synonyms
76362-13-5Methanone, (1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)(4-methoxyphenyl)-, (E)-2-butenedioateRefChem:1089108SCHEMBL11102808but-2-enedioic acid, [1-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl methyl)-4-piperidyl]-(4-methoxyphenyl)methanone
Database identifiers
- CAS
76362-13-5- PubChem CID
- 6447486
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 602
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…