Basic information
- CAS
167303-66-4- Standard SMILES
O=C(C=Cc1ccc2[nH]cc(C[C@H]3CCCN3C(=O)OCc3ccccc3)c2c1)C1CCCC1- InChIKey
CVWJEKLIIRXUNB-RUZDIDTESA-N- Molecular formula
- C29H32N2O3
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.24129289
Names & identifiers
- Preferred name
- 1-Pyrrolidinecarboxylic acid, 2-[[5-(3-cyclopentyl-3-oxo-1-propenyl)-1H-indol-3-yl]methyl]-, phenylmethyl ester, (R)-
- IUPAC
- benzyl (2R)-2-[[5-(3-cyclopentyl-3-oxoprop-1-enyl)-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
Names & synonyms
DTXSID0011060091-Pyrrolidinecarboxylic acid, 2-[[5-(3-cyclopentyl-3-oxo-1-propenyl)-1H-indol-3-yl]methyl]-, phenylmethyl ester, (R)-167303-66-4
Database identifiers
- CAS
167303-66-4- PubChem CID
- 165367166
- DTXSID
DTXSID001106009
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 725
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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