| PDB CCD ID: | B83 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C27 H28 N2 O4 |
| InChI: | InChI=1S/C27H28N2O4/c1-18-14-19(2)17-29(16-18)24-13-12-20(15-25(24)33-21-8-4-3-5-9-21)26(30)28-23-11-7-6-10-22(23)27(31)32/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,30)(H,31,32)/t18-,19+ |
| InChIKey: | YMZMFFRGSWCLPY-KDURUIRLSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | C[CH]1C[CH](C)CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(O)=O | | CACTVS 3.352 | C[C@@H]1C[C@H](C)CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(O)=O | | OpenEye OEToolkits 1.7.0 | C[C@@H]1C[C@@H](CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(=O)O)C | | OpenEye OEToolkits 1.7.0 | CC1CC(CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(=O)O)C |
|
| Name: | 2-[({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid;
2-({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxybenzoyl}amino)benzoic acid |
| ZINC: | ZINC000012341147 |
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