Basic information
- Standard SMILES
CCOC(=O)c1ccccc1CN(C(=O)OC(C)(C)C)c1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1- InChIKey
DZRGTWHFCXPPJG-UHFFFAOYSA-N- Molecular formula
- C33H36N2O6
- Average molar mass
- 556.6 g/mol
- Monoisotopic mass
- 556.25733687
Names & identifiers
- Preferred name
- 2-[(Tert-butoxycarbonyl-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-amino)-methyl]-benzoic acid ethyl ester
- IUPAC
- ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]methyl]benzoate
Names & synonyms
SCHEMBL5556977DZRGTWHFCXPPJG-UHFFFAOYSA-N2-[(tert-butoxycarbonyl-{4-[2-(5-methyl-2-phenyl -oxazol-4-yl)-ethoxy]-phenyl}-amino)-methyl]-benzoic acid ethyl ester2-[(tert-Butoxycarbonyl-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-amino)-methyl]-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 69486607
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 817
Related reactions
4 records
Compound notes
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