1WR
Summary
| Name: | (3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid |
| Synonyms: | SKF89976A |
| Formula: | C22 H25 N O2 |
| Formal charge: | 0 |
| Formula weight: | 335.439 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | TXQKSMSLZVKQBI-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CCCN(CCC=C(c2ccccc2)c3ccccc3)C1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCN(CCC=C(c2ccccc2)c3ccccc3)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=CCCN2CCC[C@@H](C2)C(=O)O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=CCCN2CCCC(C2)C(=O)O)c3ccccc3 |
