QIU
Summary
| Name: | 3-[3-(2-acetamidoethyl)phenyl]benzoic acid |
| Formula: | C17 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 283.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[3-(2-acetamidoethyl)phenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17NO3/c1-12(19)18-9-8-13-4-2-5-14(10-13)15-6-3-7-16(11-15)17(20)21/h2-7,10-11H,8-9H2,1H3,(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.03 | VSVONDXWDQOLJS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCc1cccc(c1)c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)NCCc1cccc(c1)c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O |
