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PDBeChem : Molecule Descriptors
Molecule : H3G
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C16H23NO/c1-16(2,3)14-9-11-17(12-10-14)15(18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3 |
2 |
InChIKey
|
InChI |
1.03 |
UVPFTRNYXLMKBI-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
N1(CCC(CC1)C(C)(C)C)C(=O)c2ccccc2 |
4 |
SMILES
|
CACTVS |
3.385 |
CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2 |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2 |
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