Basic information
- Standard SMILES
CCOc1cc(Cl)ccc1C(=O)NCc1cc(CC(OC(C)C)C(=O)O)ccc1OC- InChIKey
JVEWFZJBIVXIMO-UHFFFAOYSA-N- Molecular formula
- C23H28ClNO6
- Average molar mass
- 449.9 g/mol
Names & identifiers
- Preferred name
- 3-(3-[(4-Chloro-2-ethoxybenzoyl)amino]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid
- IUPAC
- 3-[3-[[(4-chloro-2-ethoxybenzoyl)amino]methyl]-4-methoxyphenyl]-2-propan-2-yloxypropanoic acid
Names & synonyms
SCHEMBL6495864JVEWFZJBIVXIMO-UHFFFAOYSA-N3-(3-[(4-chloro-2-ethoxybenzoyl)amino]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid
Database identifiers
- PubChem CID
- 22493946
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 574
Related reactions
2 records
Compound notes
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