XIJ
Summary
| Name: | 4-(4-aminophenethyl)benzoic acid |
| Synonyms: | 4-[2-(4-aminophenyl)ethyl]benzoic acid |
| Formula: | C15 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 241.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-(4-aminophenyl)ethyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H15NO2/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h3-10H,1-2,16H2,(H,17,18) |
| InChIKey | InChI | 1.06 | NREZGNFGGZQWII-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(CCc2ccc(cc2)C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(CCc2ccc(cc2)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCc2ccc(cc2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCc2ccc(cc2)N)C(=O)O |
