E0N
Summary
| Name: | (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid |
| Formula: | C18 H23 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 350.84 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H23ClN2O3/c1-21-14-8-7-13(19)9-12(14)10-15(21)17(22)20-16(18(23)24)11-5-3-2-4-6-11/h7-9,11,15-16H,2-6,10H2,1H3,(H,20,22)(H,23,24)/t15-,16-/m1/s1 |
| InChIKey | InChI | 1.03 | CURRXVCCZQBGQB-HZPDHXFCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@H](Cc2cc(Cl)ccc12)C(=O)N[C@H](C3CCCCC3)C(O)=O |
| SMILES | CACTVS | 3.385 | CN1[CH](Cc2cc(Cl)ccc12)C(=O)N[CH](C3CCCCC3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1c2ccc(cc2C[C@@H]1C(=O)N[C@H](C3CCCCC3)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2ccc(cc2CC1C(=O)NC(C3CCCCC3)C(=O)O)Cl |
