1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, carbanilate (ester), fumarate, hydrate (2:1:1)
Basic information
- CAS
23044-19-1- Standard SMILES
COc1ccccc1OC1CCN(CCCOC(=O)Nc2ccccc2)C1.COc1ccccc1OC1CCN(CCCOC(=O)Nc2ccccc2)C1.O=C(O)/C=C/C(=O)O- InChIKey
GIWXEEVDZBYFSA-WLHGVMLRSA-N- Molecular formula
- C46H56N4O12
- Average molar mass
- 857 g/mol
- Monoisotopic mass
- 856.38947323
Names & identifiers
- Preferred name
- 1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, carbanilate (ester), fumarate, hydrate (2:1:1)
- IUPAC
- (E)-but-2-enedioic acid;bis(3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl N-phenylcarbamate)
- English name
- but-2-enedioic acid, 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl N-p henylcarbamate
- Molecular formula
- C25H30N2O8
- Molecular weight
- 486.52
Names & synonyms
23044-19-11-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, carbanilate (ester), fumarate, hydrate (2:1:1)RefChem:10571043-(o-Methoxyphenoxy)-1-pyrrolidinepropanol carbanilate (ester) fumarate hydrate (2:1:1)but-2-enedioic acid, 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl N-p henylcarbamate
Database identifiers
- CAS
23044-19-1- PubChem CID
- 6445129
Properties
Computed structural properties
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 20
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 561
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Compound notes
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