KSY
Summary
| Name: | 4-{[3-(3-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-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione |
| OpenEye OEToolkits | 2.0.6 | 4-[3-(3-hydroxyphenyl)propylamino]isoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21C(=O)NC(c1c(ccc2)NCCCc3cccc(O)c3)=O |
| InChI | InChI | 1.03 | InChI=1S/C17H16N2O3/c20-12-6-1-4-11(10-12)5-3-9-18-14-8-2-7-13-15(14)17(22)19-16(13)21/h1-2,4,6-8,10,18,20H,3,5,9H2,(H,19,21,22) |
| InChIKey | InChI | 1.03 | FOSBKXYPBTUPHU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(CCCNc2cccc3C(=O)NC(=O)c23)c1 |
| SMILES | CACTVS | 3.385 | Oc1cccc(CCCNc2cccc3C(=O)NC(=O)c23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O |
