ZYM
Summary
| Name: | 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid |
| Formula: | C19 H19 N O5 |
| Formal charge: | 0 |
| Formula weight: | 341.358 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid |
| OpenEye OEToolkits | 1.7.0 | 2,4-dioxo-4-[3-(3-phenoxyphenyl)propylamino]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(=O)CC(=O)NCCCc2cc(Oc1ccccc1)ccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 |
| SMILES | CACTVS | 3.370 | OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H19NO5/c21-17(19(23)24)13-18(22)20-11-5-7-14-6-4-10-16(12-14)25-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,20,22)(H,23,24) |
| InChIKey | InChI | 1.03 | SJGQLSMZNBWNEL-UHFFFAOYSA-N |
