Basic information
- Standard SMILES
CCOC(=O)c1ccc(Nc2ccc3c(c2)C(C)(C)CC=C3C)cc1- InChIKey
OMEQENGCJSXJJW-UHFFFAOYSA-N- Molecular formula
- C22H25NO2
- Average molar mass
- 335.4 g/mol
Names & identifiers
- Preferred name
- 4-(5,8,8-Trimethyl-7,8-dihydro-naphthalen-2-yl-amino)-benzoic acid ethyl ester
- IUPAC
- ethyl 4-[(5,8,8-trimethyl-7H-naphthalen-2-yl)amino]benzoate
Names & synonyms
SCHEMBL6086102OMEQENGCJSXJJW-UHFFFAOYSA-N4-(5,8,8-Trimethyl-7,8-dihydro-naphthalen-2-yl-amino)-benzoic acid ethyl ester4-(5,8,8-trimethyl-7,8-dihydro-naphthalen-2-ylamino)-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 21024367
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 502
Related reactions
6 records
Compound notes
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