IMX
Summary
| Name: | [(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid |
| Formula: | C20 H17 F N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 352.359 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid |
| OpenEye OEToolkits | 1.7.0 | 2-[(1R,2R)-2-[(5-fluoro-1H-indol-2-yl)carbonylamino]-2,3-dihydro-1H-inden-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC4c1ccccc1CC4NC(=O)c3cc2cc(F)ccc2n3 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C[C@H]1[C@@H](Cc2ccccc12)NC(=O)c3[nH]c4ccc(F)cc4c3 |
| SMILES | CACTVS | 3.370 | OC(=O)C[CH]1[CH](Cc2ccccc12)NC(=O)c3[nH]c4ccc(F)cc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)C[C@H]([C@@H]2CC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)CC(C2CC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F |
| InChI | InChI | 1.03 | InChI=1S/C20H17FN2O3/c21-13-5-6-16-12(7-13)9-18(22-16)20(26)23-17-8-11-3-1-2-4-14(11)15(17)10-19(24)25/h1-7,9,15,17,22H,8,10H2,(H,23,26)(H,24,25)/t15-,17-/m1/s1 |
| InChIKey | InChI | 1.03 | MUKIEMZDXOXEOK-NVXWUHKLSA-N |
