A8H
Summary
| Name: | (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione |
| Formula: | C14 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 229.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H15NO2/c16-13-11-7-6-10(8-12(11)14(17)15-13)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,15,16,17)/t10-,11-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | SHLALXCFPAKZHG-SDDRHHMPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)[C@@H]2C[C@H](CC[C@H]12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O=C1NC(=O)[CH]2C[CH](CC[CH]12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[C@H]2CC[C@H]3[C@@H](C2)C(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C2CCC3C(C2)C(=O)NC3=O |
