Basic information
- Standard SMILES
CC(C(C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)C1OC(=O)CC1C(=O)OC(C)(C)C- InChIKey
YFEPXXRWTAJBEJ-OQLLNIDSSA-N- Molecular formula
- C41H40N2O8
- Average molar mass
- 688.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl (2RS,3RS)-2-[N-{(1RS,2RS,4E)-5-(2-benzoxazolyl)-1-methyl-2-(3,4-methylenedioxyphenyl)-4-pentenyl}-N-(2-naphthylmethyl)carbamoyl]-5-oxotetrahydrofuran-3-carboxylate
- IUPAC
- tert-butyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-6-(1,3-benzoxazol-2-yl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)carbamoyl]-5-oxooxolane-3-carboxylate
Names & synonyms
YFEPXXRWTAJBEJ-OQLLNIDSSA-Ntert-butyl (2RS,3RS)-2-[N-{(1RS,2RS,4E)-5-(2-benzoxazolyl)-1-methyl-2-(3,4-methylenedioxyphenyl)-4-pentenyl}-N-(2-naphthylmethyl)carbamoyl]-5-oxotetrahydrofuran-3-carboxylate
Database identifiers
- PubChem CID
- 86751027
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
1 records
Compound notes
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