H43
Summary
| Name: | 2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid |
| Synonyms: | Evocalcet |
| Formula: | C24 H26 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 374.475 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-[(3~{S})-3-[[(1~{R})-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1 |
| InChIKey | InChI | 1.03 | RZNUIYPHQFXBAN-XLIONFOSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N[C@H]1CCN(C1)c2ccc(CC(O)=O)cc2)c3cccc4ccccc34 |
| SMILES | CACTVS | 3.385 | C[CH](N[CH]1CCN(C1)c2ccc(CC(O)=O)cc2)c3cccc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1cccc2c1cccc2)N[C@H]3CCN(C3)c4ccc(cc4)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cccc2c1cccc2)NC3CCN(C3)c4ccc(cc4)CC(=O)O |
