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PDBeChem : Molecule Descriptors
Molecule : FYE
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C17H18FNO4/c18-11-4-5-14-12(8-11)13(20)9-15(23-14)16(21)19-10-17(22)6-2-1-3-7-17/h4-5,8-9,22H,1-3,6-7,10H2,(H,19,21) |
2 |
InChIKey
|
InChI |
1.03 |
PHMBHONIMDVOKO-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)ccc3O2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)ccc3O2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O |
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