VXS
Summary
| Name: | 4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione |
| Formula: | C17 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 296.321 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione |
| OpenEye OEToolkits | 2.0.7 | 4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1c(cccc1)O)CCNc3cccc2C(=O)NC(c23)=O |
| InChI | InChI | 1.03 | InChI=1S/C17H16N2O3/c20-14-9-2-1-5-11(14)6-4-10-18-13-8-3-7-12-15(13)17(22)19-16(12)21/h1-3,5,7-9,18,20H,4,6,10H2,(H,19,21,22) |
| InChIKey | InChI | 1.03 | SNSQGKXXZRXXJB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1CCCNc2cccc3C(=O)NC(=O)c23 |
| SMILES | CACTVS | 3.385 | Oc1ccccc1CCCNc2cccc3C(=O)NC(=O)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O |
