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PDBeChem : Molecule Descriptors
Molecule : B0G
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2 |
2 |
InChIKey
|
InChI |
1.03 |
JKIUUDJOCYHIGY-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
OC1CCN(CC1)C(=O)OCc2ccccc2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)COC(=O)N2CCC(CC2)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
OC1CCN(CC1)C(=O)OCc2ccccc2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)COC(=O)N2CCC(CC2)O |
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