V9N
Summary
| Name: | (3S)-N7,3-dimethyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide |
| Synonyms: | rac-N5-((1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phenyl-2,3-dihydrobenzofuran-5,7-dicarboxamide |
| Formula: | C23 H24 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 392.448 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-~{N}7,3-dimethyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2~{H}-1-benzofuran-5,7-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H24N2O4/c1-23(14-6-4-3-5-7-14)12-29-20-15(22(27)24-2)8-13(9-18(20)23)21(26)25-19-16-10-28-11-17(16)19/h3-9,16-17,19H,10-12H2,1-2H3,(H,24,27)(H,25,26)/t16-,17+,19+,23-/m0/s1 |
| InChIKey | InChI | 1.03 | RDGLEZJKVBSRJX-MUCNXURCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cc(cc2c1OC[C@@]2(C)c3ccccc3)C(=O)NC4[C@@H]5COC[C@H]45 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cc(cc2c1OC[C]2(C)c3ccccc3)C(=O)NC4[CH]5COC[CH]45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1(COc2c1cc(cc2C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(COc2c1cc(cc2C(=O)NC)C(=O)NC3C4C3COC4)c5ccccc5 |
