4-[1-(2-Ethoxy-2-oxoethyl)cyclopropyl]-2-[4-(methoxycarbonyl)benzyl]butanoic acid
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Basic information
- Standard SMILES
CCOC(=O)CC1(CCC(Cc2ccc(C(=O)OC)cc2)C(=O)O)CC1- InChIKey
AITPCKFSFMRKFO-UHFFFAOYSA-N- Molecular formula
- C20H26O6
- Average molar mass
- 362.4 g/mol
Names & identifiers
- Preferred name
- 4-[1-(2-Ethoxy-2-oxoethyl)cyclopropyl]-2-[4-(methoxycarbonyl)benzyl]butanoic acid
- IUPAC
- 4-[1-(2-ethoxy-2-oxoethyl)cyclopropyl]-2-[(4-methoxycarbonylphenyl)methyl]butanoic acid
Names & synonyms
SCHEMBL2691928AITPCKFSFMRKFO-UHFFFAOYSA-N4-[1-(2-ethoxy-2-oxoethyl)cyclopropyl]-2-[4-(methoxy-carbonyl)benzyl]butanoic acid4-[1-(2-Ethoxy-2-oxoethyl)cyclopropyl]-2-[4-(methoxycarbonyl)benzyl]butanoic acid
Database identifiers
- PubChem CID
- 57965751
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 502
Related reactions
3 records
Compound notes
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