Ethyl 4-[[3-(4-ethoxycarbonylphenyl)imino-2,2,4,4-tetramethylcyclobutylidene]amino]benzoate
Basic information
- CAS
1690-30-8- Standard SMILES
CCOC(=O)c1ccc(N=C2C(C)(C)C(=Nc3ccc(C(=O)OCC)cc3)C2(C)C)cc1- InChIKey
JAPXVCXRUBQQQL-UHFFFAOYSA-N- Molecular formula
- C26H30N2O4
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.22055744
Names & identifiers
- Preferred name
- Ethyl 4-[[3-(4-ethoxycarbonylphenyl)imino-2,2,4,4-tetramethylcyclobutylidene]amino]benzoate
- IUPAC
- ethyl 4-[[3-(4-ethoxycarbonylphenyl)imino-2,2,4,4-tetramethylcyclobutylidene]amino]benzoate
Names & synonyms
1690-30-8NSC231511ethyl 4-[[3-(4-ethoxycarbonylphenyl)imino-2,2,4,4-tetramethylcyclobutylidene]amino]benzoateDTXSID70310744NSC-231511Benzoic acid, 4,4'-(tetramethyl-1,3-cyclobutanediylidenedinitrilo)di-, diethyl esterDiethyl 4,4'-{(2,2,4,4-tetramethylcyclobutane-1,3-diylidene)bis[(E)-azanylylidene]}dibenzoate
Database identifiers
- CAS
1690-30-8- PubChem CID
- 314233
- DTXSID
DTXSID70310744
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 668
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Compound notes
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