OLX
Summary
| Name: | [(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid |
| Formula: | C12 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 235.236 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[(3~{R})-5-ethyl-3-oxidanyl-2-oxidanylidene-3~{H}-indol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CN1c2ccc(cc2C(O)C1=O)CC |
| InChI | InChI | 1.06 | InChI=1S/C12H13NO4/c1-2-7-3-4-9-8(5-7)11(16)12(17)13(9)6-10(14)15/h3-5,11,16H,2,6H2,1H3,(H,14,15)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | MDMQYMUHXMGVBC-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccc2N(CC(O)=O)C(=O)[C@H](O)c2c1 |
| SMILES | CACTVS | 3.385 | CCc1ccc2N(CC(O)=O)C(=O)[CH](O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1ccc2c(c1)[C@H](C(=O)N2CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1ccc2c(c1)C(C(=O)N2CC(=O)O)O |
