Basic information
- Standard SMILES
Cc1cc(OCc2ccccc2)cc2c1ccn2CC(=O)OC(C)(C)C- InChIKey
PLXZDNCVCKKSCZ-UHFFFAOYSA-N- Molecular formula
- C22H25NO3
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.18344366
Names & identifiers
- Preferred name
- (6-Benzyloxy-4-methyl-indol-1-yl)-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-(4-methyl-6-phenylmethoxyindol-1-yl)acetate
Names & synonyms
SCHEMBL5016771PLXZDNCVCKKSCZ-UHFFFAOYSA-N(6-benzyloxy-4-methyl-indol-1-yl)-acetic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69280223
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 466
Related reactions
4 records
Compound notes
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