Basic information
- CAS
111364-34-2- Standard SMILES
CCCOc1ccccc1NC(=O)OC(COC)CN1CCCC1.O=C(O)C(=O)O- InChIKey
GJFGIYJATISJFC-UHFFFAOYSA-N- Molecular formula
- C20H30N2O8
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.20021592
Names & identifiers
- Preferred name
- Carbamic acid, (2-propoxyphenyl)-, 1-(methoxymethyl)-2-(1-pyrrolidinyl)ethyl ester, ethanedioate (1:1)
- IUPAC
- (1-methoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(2-propoxyphenyl)carbamate;oxalic acid
Names & synonyms
111364-34-21-Methoxy-3-(pyrrolidin-1-yl)propan-2-yl (2-propoxyphenyl)carbamate oxalateCarbamic acid, (2-propoxyphenyl)-, 1-(methoxymethyl)-2-(1-pyrrolidinyl)ethyl ester, ethanedioate (1:1)DTXSID70912121Oxalic acid--1-methoxy-3-(pyrrolidin-1-yl)propan-2-yl hydrogen (2-propoxyphenyl)carbonimidate (1/1)
Database identifiers
- CAS
111364-34-2- PubChem CID
- 183262
- DTXSID
DTXSID70912121
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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