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PDBeChem : Molecule Descriptors
Molecule : UA8
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C14H26N2O/c1-12-8-10-16(11-9-12)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17) |
2 |
InChIKey
|
InChI |
1.03 |
RBBIAFZDUSBCMN-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CC1CCN(CC1)C(=O)NC2CCCCCC2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC1CCN(CC1)C(=O)NC2CCCCCC2 |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CC1CCN(CC1)C(=O)NC2CCCCCC2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC1CCN(CC1)C(=O)NC2CCCCCC2 |
|