Basic information
- CAS
76410-22-5- Standard SMILES
CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(O)C[NH2+]C(C)C)cc12.[Cl-]- InChIKey
GJDHLWHZNOOHFQ-UHFFFAOYSA-N- Molecular formula
- C24H31ClN2O4
- Average molar mass
- 447 g/mol
- Monoisotopic mass
- 446.1972352
Names & identifiers
- Preferred name
- 1H-Indole-3-carboxylic acid, 5-(2-hydroxy-3-(isopropylamino)propoxy)-2-methyl-1-phenyl-, ethyl ester, monohydrochloride
- IUPAC
- [3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride
Names & synonyms
76410-22-51H-Indole-3-carboxylic acid, 5-(2-hydroxy-3-(isopropylamino)propoxy)-2-methyl-1-phenyl-, ethyl ester, monohydrochlorideRefChem:239102
Database identifiers
- CAS
76410-22-5- PubChem CID
- 53489
Properties
Computed structural properties
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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