1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-diethylaminoethyl ester, maleate
Basic information
- CAS
50836-14-1- Standard SMILES
CCN(CC)CCOC(=O)CC1(c2ccccc2)Oc2ccccc2O1.O=C(O)/C=C/C(=O)O- InChIKey
UMPKMWLEAZCIJS-WLHGVMLRSA-N- Molecular formula
- C25H29NO8
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.18931688
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-diethylaminoethyl ester, maleate
- IUPAC
- (E)-but-2-enedioic acid;2-(diethylamino)ethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)acetate
Names & synonyms
1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-diethylaminoethyl ester, maleate50836-14-1RefChem:10527032-Diethylaminoethyl 2-phenyl-1,3-benzodioxole-2-acetate maleateDTXSID501384323
Database identifiers
- CAS
50836-14-1- PubChem CID
- 6434397
- DTXSID
DTXSID501384323
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 550
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Compound notes
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