8UH
Summary
| Name: | 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide |
| Formula: | C31 H36 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 534.089 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/C31H36ClN3O3/c1-19-12-21-14-22(13-19)30-26(15-21)35-25-17-23(32)8-9-24(25)31(30)33-11-5-3-4-6-29(37)34-18-20-7-10-27(36)28(16-20)38-2/h7-10,12,16-17,21-22,36H,3-6,11,13-15,18H2,1-2H3,(H,33,35)(H,34,37)/t21-,22+/m0/s1 |
| InChIKey | InChI | 1.03 | AUFZKQKTTGOKEM-FCHUYYIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CNC(=O)CCCCCNc2c3ccc(Cl)cc3nc4C[C@@H]5C[C@@H](CC(=C5)C)c24)ccc1O |
| SMILES | CACTVS | 3.385 | COc1cc(CNC(=O)CCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](CC(=C5)C)c24)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCC(=O)NCc5ccc(c(c5)OC)O)C(C2)C1 |
