QC8
Summary
| Name: | (2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide |
| Formula: | C23 H23 F N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 410.438 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H23FN2O4/c1-25-23(28)15-8-13(22(27)26-20-16-10-29-11-17(16)20)7-14-19(12-5-3-2-4-6-12)18(9-24)30-21(14)15/h2-8,16-20H,9-11H2,1H3,(H,25,28)(H,26,27)/t16-,17+,18-,19+,20+/m1/s1 |
| InChIKey | InChI | 1.03 | WZQLVEPIBAOOGF-RMMWZPCPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c3ccccc3)C(=O)NC4[C@@H]5COC[C@H]45 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cc(cc2[CH]([CH](CF)Oc12)c3ccccc3)C(=O)NC4[CH]5COC[CH]45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cc(cc2c1O[C@@H]([C@H]2c3ccccc3)CF)C(=O)NC4[C@H]5[C@@H]4COC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cc(cc2c1OC(C2c3ccccc3)CF)C(=O)NC4C5C4COC5 |
