Basic information
- Standard SMILES
COc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)OCc1ccc(Cl)cc1Cl- InChIKey
ZYPIEALAGDWTMH-UHFFFAOYSA-N- Molecular formula
- C21H23Cl2NO6
- Average molar mass
- 456.3 g/mol
Names & identifiers
- Preferred name
- 3-[3-(2,4-Dichlorobenzyloxycarbonylamino)-4-methoxyphenyl]-2-isopropoxypropanoic acid
- IUPAC
- 3-[3-[(2,4-dichlorophenyl)methoxycarbonylamino]-4-methoxyphenyl]-2-propan-2-yloxypropanoic acid
Names & synonyms
SCHEMBL4328087ZYPIEALAGDWTMH-UHFFFAOYSA-N3-[3-(2,4-Dichlorobenzyloxycarbonylamino)-4-methoxyphenyl]-2-isopropoxypropanoic acid
Database identifiers
- PubChem CID
- 57719565
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 564
Related reactions
1 records
Compound notes
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