4WP
Summary
| Name: | methyl 3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoate |
| Formula: | C13 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 219.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoate |
| OpenEye OEToolkits | 1.9.2 | methyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N(Cc2c(C1)cccc2)CCC(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO2/c1-16-13(15)7-9-14-8-6-11-4-2-3-5-12(11)10-14/h2-5H,6-10H2,1H3 |
| InChIKey | InChI | 1.03 | LGCHTHNCFDGWBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CCN1CCc2ccccc2C1 |
| SMILES | CACTVS | 3.385 | COC(=O)CCN1CCc2ccccc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC(=O)CCN1CCc2ccccc2C1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | COC(=O)CCN1CCc2ccccc2C1 |
