Basic information
- CAS
76410-21-4- Standard SMILES
CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(O)C[NH2+]Cc3ccccc3)cc12.[Cl-]- InChIKey
VVKJDEUSWNRZOX-UHFFFAOYSA-N- Molecular formula
- C28H31ClN2O4
- Average molar mass
- 495 g/mol
- Monoisotopic mass
- 494.1972352
Names & identifiers
- Preferred name
- 1H-Indole-3-carboxylic acid, 5-(2-hydroxy-3-(benzylamino)propoxy)-2-methyl-1-phenyl-, ethyl ester, monohydrochloride
- IUPAC
- benzyl-[3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]azanium chloride
Names & synonyms
76410-21-41H-Indole-3-carboxylic acid, 5-(2-hydroxy-3-(benzylamino)propoxy)-2-methyl-1-phenyl-, ethyl ester, monohydrochlorideRefChem:239101
Database identifiers
- CAS
76410-21-4- PubChem CID
- 53487
Properties
Computed structural properties
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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