Basic information
- Standard SMILES
COC(=O)C(C)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3N(C)C2CC2)cc1- InChIKey
YDRYHLFKLMRFFZ-UHFFFAOYSA-N- Molecular formula
- C28H33NO2
- Average molar mass
- 415.6 g/mol
- Monoisotopic mass
- 415.2511293
Names & identifiers
- Preferred name
- 2-{4-[5-(Cyclopropyl-methyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-phenyl}-propionic acid methyl ester
- IUPAC
- methyl 2-[4-[2-[5-[cyclopropyl(methyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]phenyl]propanoate
Names & synonyms
SCHEMBL4517323YDRYHLFKLMRFFZ-UHFFFAOYSA-N2-{4-[5-(Cyclopropyl-methyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-phenyl}-propionic acid methyl ester
Database identifiers
- PubChem CID
- 69075889
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 703
Related reactions
8 records
Compound notes
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