4WO
Summary
| Name: | methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)propanoate |
| Formula: | C13 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 234.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)propanoate |
| OpenEye OEToolkits | 1.9.2 | methyl 3-(8-azanyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(Cc2c(C1)cccc2N)CCC(OC)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H18N2O2/c1-17-13(16)6-8-15-7-5-10-3-2-4-12(14)11(10)9-15/h2-4H,5-9,14H2,1H3 |
| InChIKey | InChI | 1.03 | HYEBSCFAHVBELO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CCN1CCc2cccc(N)c2C1 |
| SMILES | CACTVS | 3.385 | COC(=O)CCN1CCc2cccc(N)c2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC(=O)CCN1CCc2cccc(c2C1)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | COC(=O)CCN1CCc2cccc(c2C1)N |
