Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCCC3OCCO3)cc2)c1- InChIKey
FGVCGPASNHPQLY-UHFFFAOYSA-N- Molecular formula
- C32H37NO7
- Average molar mass
- 547.6 g/mol
- Monoisotopic mass
- 547.25700252
Names & identifiers
- Preferred name
- 3-(1,3-Dioxolan-2-yl)propyl 4-((3-(((tert-butoxycarbonyl)amino)(phenyl)-methyl)phenoxy)methyl)benzoate
- IUPAC
- 3-(1,3-dioxolan-2-yl)propyl 4-[[3-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]phenoxy]methyl]benzoate
Names & synonyms
SCHEMBL14166631FGVCGPASNHPQLY-UHFFFAOYSA-N3-(1,3-Dioxolan-2-yl)propyl 4-((3-(((tert-butoxycarbonyl)amino)(phenyl)-methyl)phenoxy)methyl)benzoate3-(1,3-dioxolan-2-yl)propyl 4-((3-(((tert-butoxycarbonyl)amino)(phenyl)methyl)phenoxy)-methyl)benzoate
Database identifiers
- PubChem CID
- 71093448
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 764
Related reactions
2 records
Compound notes
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