A1ES4
Summary
| Name: | (2~{S})-1-(1~{H}-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol |
| Formula: | C14 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 248.321 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-(1~{H}-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | JZQKKSLKJUAGIC-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | CC(C)NC[CH](O)COc1cccc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)NC[C@@H](COc1cccc2c1cc[nH]2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)NCC(COc1cccc2c1cc[nH]2)O |
