R54
Summary
| Name: | (5R,6S)-5-(4-{2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol |
| Formula: | C29 H33 N O2 |
| Formal charge: | 0 |
| Formula weight: | 427.578 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R,6S)-5-(4-{2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol |
| OpenEye OEToolkits | 2.0.7 | (5~{R},6~{S})-5-[4-[2-[(2~{S})-2-methylpyrrolidin-1-yl]ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1CCCN1CCOc2ccc(cc2)C4c3ccc(O)cc3CCC4c5ccccc5 |
| InChI | InChI | 1.03 | InChI=1S/C29H33NO2/c1-21-6-5-17-30(21)18-19-32-26-13-9-23(10-14-26)29-27(22-7-3-2-4-8-22)15-11-24-20-25(31)12-16-28(24)29/h2-4,7-10,12-14,16,20-21,27,29,31H,5-6,11,15,17-19H2,1H3/t21-,27+,29-/m0/s1 |
| InChIKey | InChI | 1.03 | MMWIJVMRMZLIPV-PEXXQYNDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCN1CCOc2ccc(cc2)[C@H]3[C@H](CCc4cc(O)ccc34)c5ccccc5 |
| SMILES | CACTVS | 3.385 | C[CH]1CCCN1CCOc2ccc(cc2)[CH]3[CH](CCc4cc(O)ccc34)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCN1CCOc2ccc(cc2)C3c4ccc(cc4CCC3c5ccccc5)O |
