47H
Summary
| Name: | 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline |
| Formula: | C13 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 217.264 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline |
| OpenEye OEToolkits | 1.9.2 | 6,6,8-trimethyl-5H-[1,3]dioxolo[4,5-g]quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O1c3c(OC1)cc2NC(C=C(c2c3)C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C13H15NO2/c1-8-6-13(2,3)14-10-5-12-11(4-9(8)10)15-7-16-12/h4-6,14H,7H2,1-3H3 |
| InChIKey | InChI | 1.03 | JAMOHNXWLCCTQU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(C)(C)Nc2cc3OCOc3cc12 |
| SMILES | CACTVS | 3.385 | CC1=CC(C)(C)Nc2cc3OCOc3cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1=CC(Nc2c1cc3c(c2)OCO3)(C)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1=CC(Nc2c1cc3c(c2)OCO3)(C)C |
