LLG
Summary
| Name: | 2-aminoethyl naphthalen-1-ylacetate |
| Formula: | C14 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 229.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-aminoethyl naphthalen-1-ylacetate |
| OpenEye OEToolkits | 1.5.0 | 2-aminoethyl 2-naphthalen-1-ylethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCCN)Cc2cccc1ccccc12 |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCOC(=O)Cc1cccc2ccccc12 |
| SMILES | CACTVS | 3.341 | NCCOC(=O)Cc1cccc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2CC(=O)OCCN |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2CC(=O)OCCN |
| InChI | InChI | 1.03 | InChI=1S/C14H15NO2/c15-8-9-17-14(16)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,15H2 |
| InChIKey | InChI | 1.03 | PDCSQCHNOPNJMK-UHFFFAOYSA-N |
