3-methoxy-4-[2-[3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetyl]ethylaminoethoxy]benzoic acid
Basic information
- Standard SMILES
COc1cc(CC(=O)CCNCCOc2ccc(C(=O)O)cc2OC)ccc1NC(=O)Nc1ccccc1C- InChIKey
RWNPVEJIHSHLPS-UHFFFAOYSA-N- Molecular formula
- C29H33N3O7
- Average molar mass
- 535.6 g/mol
Names & identifiers
- Preferred name
- 3-methoxy-4-[2-[3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetyl]ethylaminoethoxy]benzoic acid
- IUPAC
- 3-methoxy-4-[2-[[4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-3-oxobutyl]amino]ethoxy]benzoic acid
Names & synonyms
SCHEMBL5152978RWNPVEJIHSHLPS-UHFFFAOYSA-N3-methoxy-4-[2-[3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetyl]ethylaminoethoxy]benzoic acid
Database identifiers
- PubChem CID
- 69333364
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 782
Related reactions
3 records
Compound notes
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