A1IJ4
Summary
| Name: | 4-[3-(aminomethyl)phenoxy]butylcarbamic acid |
| Formula: | C12 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 238.283 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[3-(aminomethyl)phenoxy]butylcarbamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H18N2O3/c13-9-10-4-3-5-11(8-10)17-7-2-1-6-14-12(15)16/h3-5,8,14H,1-2,6-7,9,13H2,(H,15,16) |
| InChIKey | InChI | 1.06 | PPXAKERDFHSDMN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cccc(OCCCCNC(O)=O)c1 |
| SMILES | CACTVS | 3.385 | NCc1cccc(OCCCCNC(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCCCCNC(=O)O)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCCCCNC(=O)O)CN |
