9DW
Summary
| Name: | (2~{S})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid |
| Formula: | C18 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 299.364 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H21NO3/c1-3-13-11-15(22-2)8-9-16(13)14-6-4-12(5-7-14)10-17(19)18(20)21/h4-9,11,17H,3,10,19H2,1-2H3,(H,20,21)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | WLVXKTIBRNXBIF-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(OC)ccc1c2ccc(C[C@H](N)C(O)=O)cc2 |
| SMILES | CACTVS | 3.385 | CCc1cc(OC)ccc1c2ccc(C[CH](N)C(O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1cc(ccc1c2ccc(cc2)C[C@@H](C(=O)O)N)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cc(ccc1c2ccc(cc2)CC(C(=O)O)N)OC |
