A1H3Z
Summary
| Name: | 4-(5-phenylmethoxy-1~{H}-indol-3-yl)butan-2-one |
| Formula: | C19 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 293.36 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(5-phenylmethoxy-1~{H}-indol-3-yl)butan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H19NO2/c1-14(21)7-8-16-12-20-19-10-9-17(11-18(16)19)22-13-15-5-3-2-4-6-15/h2-6,9-12,20H,7-8,13H2,1H3 |
| InChIKey | InChI | 1.06 | ADXXLZSPGLMNER-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)CCc1c[nH]c2ccc(OCc3ccccc3)cc12 |
| SMILES | CACTVS | 3.385 | CC(=O)CCc1c[nH]c2ccc(OCc3ccccc3)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)CCc1c[nH]c2c1cc(cc2)OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)CCc1c[nH]c2c1cc(cc2)OCc3ccccc3 |
