D4K
Summary
| Name: | (2~{R})-2-[(~{S})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine |
| Formula: | C18 H21 N O |
| Formal charge: | 0 |
| Formula weight: | 267.365 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-[(~{S})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H21NO/c1-20-16-10-5-9-15(13-16)18(17-11-6-12-19-17)14-7-3-2-4-8-14/h2-5,7-10,13,17-19H,6,11-12H2,1H3/t17-,18+/m1/s1 |
| InChIKey | InChI | 1.03 | JABPEOHMWOYYAX-MSOLQXFVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)[C@@H]([C@H]2CCCN2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)[CH]([CH]2CCCN2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)C(c2ccccc2)C3CCCN3 |
