ZL6
Summary
| Name: | 2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid |
| Formula: | C28 H33 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 459.58 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H33N3O3/c1-3-20-17-24(22-9-11-29-12-10-22)18-21(4-2)27(20)30-25-8-5-7-23(26(25)28(32)33)19-31-13-6-15-34-16-14-31/h5,7-12,17-18,30H,3-4,6,13-16,19H2,1-2H3,(H,32,33) |
| InChIKey | InChI | 1.06 | DYKGFUNWMFFSJF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(cc(CC)c1Nc2cccc(CN3CCCOCC3)c2C(O)=O)c4ccncc4 |
| SMILES | CACTVS | 3.385 | CCc1cc(cc(CC)c1Nc2cccc(CN3CCCOCC3)c2C(O)=O)c4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cc(cc(c1Nc2cccc(c2C(=O)O)CN3CCCOCC3)CC)c4ccncc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cc(cc(c1Nc2cccc(c2C(=O)O)CN3CCCOCC3)CC)c4ccncc4 |
