4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
Basic information
- CAS
87626-57-1- Standard SMILES
CC[NH+](CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12.[Cl-]- InChIKey
WDVNOYDPVLEXLL-UHFFFAOYSA-N- Molecular formula
- C23H26ClNO4
- Average molar mass
- 415.9 g/mol
- Monoisotopic mass
- 415.155036
Overview
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Names & identifiers
- Preferred name
- 4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- diethyl-[2-[2-(4-oxo-2-phenylchromen-8-yl)acetyl]oxyethyl]azanium chloride
Names & synonyms
4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride2-(N,N-Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate hydrochloride4-Oxo-2-phenyl-4H-1-benzopyran-8-acetic acid 2-(diethylamino)ethyl ester hydrochlorideUNII-2CJ3607EA1diethyl-[2-[2-(4-oxo-2-phenylchromen-8-yl)acetyl]oxyethyl]azanium;chloride
Database identifiers
- CAS
87626-57-1- PubChem CID
- 55749
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
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Compound notes
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