Basic information
- Standard SMILES
CCOC(=O)Cc1ccc(-c2ccc(C(CC)(CC)c3ccc(/C=C/C(O)(CC)CC)c(C)c3)cc2C)nc1- InChIKey
MVNYHQHTDQTUJM-FMQUCBEESA-N- Molecular formula
- C35H45NO3
- Average molar mass
- 527.7 g/mol
- Monoisotopic mass
- 527.3399443
Names & identifiers
- Preferred name
- [6-(4-{1-Ethyl-1-[4-((E)-3-ethyl-3-hydroxy-1-pentenyl)-3-methyl-phenyl]-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic acid ethyl ester
- IUPAC
- ethyl 2-[6-[4-[3-[4-[(E)-3-ethyl-3-hydroxypent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-3-pyridinyl]acetate
Names & synonyms
SCHEMBL1525259MVNYHQHTDQTUJM-FMQUCBEESA-N[6-(4-{1-Ethyl-1-[4-((E)-3-ethyl-3-hydroxy-1-pentenyl)-3-methyl-phenyl]-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 57709093
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 770
Related reactions
2 records
Compound notes
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