PFT
Summary
| Name: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol |
| Formula: | C15 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 255.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 1,3-dihydro-2H-isoindol-2-yl(2,4-dihydroxyphenyl)methanone |
| OpenEye OEToolkits | 1.6.1 | 1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(c1ccc(O)cc1O)N3Cc2ccccc2C3 |
| SMILES_CANONICAL | CACTVS | 3.352 | Oc1ccc(c(O)c1)C(=O)N2Cc3ccccc3C2 |
| SMILES | CACTVS | 3.352 | Oc1ccc(c(O)c1)C(=O)N2Cc3ccccc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2 |
| InChIKey | InChI | 1.03 | FYANAIGOGAIFAF-UHFFFAOYSA-N |
