1X1
Summary
| Name: | 3,4-dihydroisoquinoline-2(1H)-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 | 3,4-dihydroisoquinoline-2(1H)-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 3,4-dihydro-1H-isoquinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)N2Cc1c(cccc1)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO2/c12-10(13)11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2,(H,12,13) |
| InChIKey | InChI | 1.03 | DLPDBBPTTGBGRX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)N1CCc2ccccc2C1 |
| SMILES | CACTVS | 3.385 | OC(=O)N1CCc2ccccc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCN(C2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCN(C2)C(=O)O |
