Basic information
- Standard SMILES
COC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)[nH]2)cc1- InChIKey
FKASIBJUUKHSBS-UHFFFAOYSA-N- Molecular formula
- C26H29NO2
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.21982917
Names & identifiers
- Preferred name
- 2-(4-Carbomethoxyphenyl)-5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-pyrrole
- IUPAC
- methyl 4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrrol-2-yl]benzoate
Names & synonyms
SCHEMBL9183745FKASIBJUUKHSBS-UHFFFAOYSA-N2-(4-Carbomethoxyphenyl)-5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-pyrrole
Database identifiers
- PubChem CID
- 14726513
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 590
Related reactions
5 records
Compound notes
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