FYE
Summary
Name: | 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide |
Formula: | C17 H18 F N O4 |
Formal charge: | 0 |
Formula weight: | 319.328 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
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) |
InChIKey | InChI | 1.03 | PHMBHONIMDVOKO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)ccc3O2 |
SMILES | CACTVS | 3.385 | OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)ccc3O2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O |