RQX
Summary
| Name: | 2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione |
| Formula: | C15 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 263.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]cyclohexa-2,5-diene-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(=C(C(=O)C(=C1OC)N)C)C\C=C(/C)CCC |
| InChI | InChI | 1.03 | InChI=1S/C15H21NO3/c1-5-6-9(2)7-8-11-10(3)13(17)12(16)15(19-4)14(11)18/h7H,5-6,8,16H2,1-4H3/b9-7+ |
| InChIKey | InChI | 1.03 | FKFYBWHBXHCWCD-VQHVLOKHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCC(/C)=C/CC1=C(C)C(=O)C(=C(OC)C1=O)N |
| SMILES | CACTVS | 3.370 | CCCC(C)=CCC1=C(C)C(=O)C(=C(OC)C1=O)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)N)C)/C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCC(=CCC1=C(C(=O)C(=C(C1=O)OC)N)C)C |
