Basic information
- Standard SMILES
CCOC(=O)CC1=CCC(C)(C)c2ccc(N=Nc3ccc(C(=O)OCC)cc3)cc21- InChIKey
JVGISWYRBBMKME-UHFFFAOYSA-N- Molecular formula
- C25H28N2O4
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(5,5-dimethyl-8-(carbethoxymethyl)-5,6-dihydronaphthalen-2-yl)azo]benzoate
- IUPAC
- ethyl 4-[[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]diazenyl]benzoate
Names & synonyms
SCHEMBL6292931SCHEMBL6292933JVGISWYRBBMKME-UHFFFAOYSA-N1Ethyl 4-[(5,5-dimethyl-8-(carbethoxymethyl)-5,6-dihydronaphthalen-2-yl)azo]benzoateEthyl 4-[(5,5-dimethyl-8(carbethoxymethyl)-5,6-dihydronaphthalen-2-yl)azo]benzoateEthyl 4-[(5,5-dimethyl-8-(carbethoxymethyl) -5,6-dihydronaphthalen-2-yl)azo]benzoateEthyl 4-[(5,5-dimethyl-8-(carbethoxymethyl)-5,6-dihydronaphthalen-2-yl)azo]benzoateEthyl 4-[(5,5-dimethyl-8-(carbethoxymethyl)-5,6-dihydronaphthalen-2yl)azo]benzoate
Database identifiers
- PubChem CID
- 22571504
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 692
Related reactions
15 records
Linked notes
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