HKY
Summary
| Name: | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid |
| Formula: | C10 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 177.2 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc2c(c1)CCNC2 |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-2,5,11H,3-4,6H2,(H,12,13) |
| InChIKey | InChI | 1.03 | QEMYLDYQDFRTRT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2CNCCc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2CNCCc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1C(=O)O)CCNC2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1C(=O)O)CCNC2 |
