A1EQD
Summary
| Name: | (2~{R},3~{R})-2-(cyclohexylmethyl)-3-pyridin-3-yl-cyclopropane-1,1-dicarboxylic acid |
| Formula: | C17 H21 N O4 |
| Formal charge: | 0 |
| Formula weight: | 303.353 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R})-2-(cyclohexylmethyl)-3-pyridin-3-yl-cyclopropane-1,1-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H21NO4/c19-15(20)17(16(21)22)13(9-11-5-2-1-3-6-11)14(17)12-7-4-8-18-10-12/h4,7-8,10-11,13-14H,1-3,5-6,9H2,(H,19,20)(H,21,22)/t13-,14+/m1/s1 |
| InChIKey | InChI | 1.06 | DRWFLFNIRQQHPP-KGLIPLIRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1([C@H](CC2CCCCC2)[C@@H]1c3cccnc3)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C1([CH](CC2CCCCC2)[CH]1c3cccnc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)[C@H]2[C@H](C2(C(=O)O)C(=O)O)CC3CCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C2C(C2(C(=O)O)C(=O)O)CC3CCCCC3 |
