8UK
Summary
| Name: | 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide |
| Formula: | C32 H38 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 548.115 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/C32H38ClN3O3/c1-20-13-22-15-23(14-20)31-27(16-22)36-26-18-24(33)9-10-25(26)32(31)34-12-6-4-3-5-7-30(38)35-19-21-8-11-28(37)29(17-21)39-2/h8-11,13,17-18,22-23,37H,3-7,12,14-16,19H2,1-2H3,(H,34,36)(H,35,38)/t22-,23+/m0/s1 |
| InChIKey | InChI | 1.03 | JGUYMIZRMYBDGV-XZOQPEGZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CNC(=O)CCCCCCNc2c3ccc(Cl)cc3nc4C[C@@H]5C[C@@H](CC(=C5)C)c24)ccc1O |
| SMILES | CACTVS | 3.385 | COc1cc(CNC(=O)CCCCCCNc2c3ccc(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)NCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCC(=O)NCc5ccc(c(c5)OC)O)C(C2)C1 |
