Basic information
- CAS
80171-71-7- Standard SMILES
CCCOCc1ccccc1NC(=O)OCC[NH+]1CCCCC1.O=C([O-])C(=O)O- InChIKey
XLYPTZOJCGJIPN-UHFFFAOYSA-N- Molecular formula
- C20H30N2O7
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.2053013
Names & identifiers
- Preferred name
- Carbanilic acid, o-(propoxymethyl)-, 2-piperidinoethyl ester, oxalate (1:1)
- IUPAC
- 2-hydroxy-2-oxoacetate;2-piperidin-1-ium-1-ylethyl N-[2-(propoxymethyl)phenyl]carbamate
- English name
- 2-hydroxy-2-oxo-acetate, 2-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethyl N -[2-(propoxymethyl)phenyl]carbamate
- Molecular formula
- C20H30N2O7
- Molecular weight
- 410.4614
Names & synonyms
AMK 234CARBANILIC ACID, o-(PROPOXYMETHYL)-, 2-PIPERIDINOETHYL ESTER, OXALATE (1:1)80171-71-7o-(Propoxymethyl)carbanilic acid 2-piperidinoethyl ester oxalate (1:1)DTXSID30230131RefChem:333125DTXCID301526221-[2-({[2-(Propoxymethyl)phenyl]carbamoyl}oxy)ethyl]piperidin-1-ium hydrogen ethanedioate2-hydroxy-2-oxo-acetate, 2-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethyl N -[2-(propoxymethyl)phenyl]carbamate
Database identifiers
- CAS
80171-71-7- PubChem CID
- 54503
- DTXSID
DTXSID30230131
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 410
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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