Basic information
- Standard SMILES
CCOC(=O)CCc1cn(Cc2ccc(OCc3cccnc3C)cc2)cc1-c1ccccc1- InChIKey
LNVBFTDIOZLLLA-UHFFFAOYSA-N- Molecular formula
- C29H30N2O3
- Average molar mass
- 454.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[1-[4-(2-methyl-3-pyridylmethoxy)benzyl]-4-phenyl-3-pyrrolyl]propionate
- IUPAC
- ethyl 3-[1-[[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]methyl]-4-phenylpyrrol-3-yl]propanoate
Names & synonyms
SCHEMBL5385157LNVBFTDIOZLLLA-UHFFFAOYSA-Nethyl 3-[1-[4-(2-methy-3-pyridylmethoxy)benzyl]-4-phenyl-3-pyrrolyl]propionateethyl 3-[1-[4-(2-methyl-3-pyridylmethoxy)benzyl]-4-phenyl-3-pyrrolyl]propionate
Database identifiers
- PubChem CID
- 69423888
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 600
Related reactions
3 records
Compound notes
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