Basic information
- CAS
65072-61-9- Standard SMILES
CCCCOC(=O)c1ccccc1N=Nc1c(O)c(C(=O)Nc2ccccc2OCC)cc2ccccc12- InChIKey
YNXQJRAPEYVIRV-UHFFFAOYSA-N- Molecular formula
- C30H29N3O5
- Average molar mass
- 511.6 g/mol
- Monoisotopic mass
- 511.21072103
Names & identifiers
- Preferred name
- Benzoic acid, 2-[2-[3-[[(2-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]diazenyl]-, butyl ester
- IUPAC
- butyl 2-[[3-[(2-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]benzoate
Names & synonyms
Benzoic acid, 2-((3-(((2-ethoxyphenyl)amino)carbonyl)-2-hydroxy-1-naphthalenyl)azo)-, butyl esterDTXSID20886722Benzoic acid, 2-(2-(3-(((2-ethoxyphenyl)amino)carbonyl)-2-hydroxy-1-naphthalenyl)diazenyl)-, butyl esterBenzoic acid, 2-[[3-[[(2-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-, butyl esterBenzoic acid, 2-[2-[3-[[(2-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]diazenyl]-, butyl esterRefChem:565477DTXCID30102604465072-61-9YNXQJRAPEYVIRV-UHFFFAOYSA-NButyl 2-({3-[(2-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl}diazenyl)benzoate
Database identifiers
- CAS
65072-61-9- PubChem CID
- 103147
- DTXSID
DTXSID20886722- Nikkaji
- J453.301A
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 792
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-[2-[3-[[(2-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]diazenyl]-, butyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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