DL9
Summary
| Name: | (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol |
| Formula: | C31 H35 N O2 |
| Formal charge: | 0 |
| Formula weight: | 453.615 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{E})-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-oxidanyl-2-phenyl-pent-1-enyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C31H35NO2/c33-22-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-20-32(21-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,33-34H,4,7,14-15,18-22H2/b31-30+ |
| InChIKey | InChI | 1.03 | QLPDYHPRQYYVTE-NVQSTNCTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCC(/c1ccccc1)=C(\c2ccc(O)cc2)c3ccc(cc3)C4CCN(CC4)C5CC5 |
| SMILES | CACTVS | 3.385 | OCCCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(cc3)C4CCN(CC4)C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)/C(=C(\c2ccc(cc2)C3CCN(CC3)C4CC4)/c5ccc(cc5)O)/CCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=C(c2ccc(cc2)C3CCN(CC3)C4CC4)c5ccc(cc5)O)CCCO |
