8U5
Summary
| Name: | E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide |
| Formula: | C35 H46 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 592.211 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C35H46ClN3O3/c1-23-16-25-18-26(17-23)34-30(19-25)39-29-21-27(36)12-13-28(29)35(34)37-15-9-7-5-3-4-6-8-10-33(41)38-22-24-11-14-31(40)32(20-24)42-2/h11-14,20-21,23,25-26,40H,3-10,15-19,22H2,1-2H3,(H,37,39)(H,38,41)/t23-,25-,26+/m0/s1 |
| InChIKey | InChI | 1.03 | QVNUYAPHLZOXQT-AYRHNUGRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CNC(=O)CCCCCCCCCNc2c3ccc(Cl)cc3nc4C[C@H]5C[C@H](C)C[C@H](C5)c24)ccc1O |
| SMILES | CACTVS | 3.385 | COc1cc(CNC(=O)CCCCCCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](C)C[CH](C5)c24)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1C[C@@H]2CC(C1)Cc3c2c(c4ccc(cc4n3)Cl)NCCCCCCCCCC(=O)NCc5ccc(c(c5)OC)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1CC2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCCCCC(=O)NCc5ccc(c(c5)OC)O)C(C1)C2 |
