Basic information
- Standard SMILES
COC(=O)c1ccc(OCC2CC(OC)CN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1- InChIKey
XUMUHCPZCKKUGL-UHFFFAOYSA-N- Molecular formula
- C31H35N3O7
- Average molar mass
- 561.6 g/mol
- Monoisotopic mass
- 561.24750046
Names & identifiers
- Preferred name
- Methyl 4-[[4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidin-2-yl]methoxy]benzoate
- IUPAC
- methyl 4-[[4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidin-2-yl]methoxy]benzoate
Database identifiers
- PubChem CID
- 23512480
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 865
Related reactions
2 records
Compound notes
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