4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride
Basic information
- CAS
3468-08-4- Standard SMILES
CC[NH+](CC)CCCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.[Cl-]- InChIKey
QESDLTIZNFEOMN-UHFFFAOYSA-N- Molecular formula
- C24H28ClNO4
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.1706861
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride
- IUPAC
- diethyl-[3-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxypropyl]azanium chloride
Names & synonyms
3468-08-44H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 3-(diethylamino)propyl ester, hydrochlorideRefChem:1071865REC 1-0473
Database identifiers
- CAS
3468-08-4- PubChem CID
- 18978
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 604
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Compound notes
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