4DY
Summary
| Name: | (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide |
| Synonyms: | Capsaicin 8-Methyl-N-vanillyl-trans-6-nonenamide; NGX-4010 |
| Formula: | C18 H27 N O3 |
| Formal charge: | 0 |
| Formula weight: | 305.412 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide |
| OpenEye OEToolkits | 1.7.6 | (E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-methyl-non-6-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(CNC(CCCC[C@H]=CC(C)C)=O)cc(OC)c(cc1)O |
| InChI | InChI | 1.03 | InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+ |
| InChIKey | InChI | 1.03 | YKPUWZUDDOIDPM-SOFGYWHQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O |
| SMILES | CACTVS | 3.385 | COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C=CCCCCC(=O)NCc1ccc(c(c1)OC)O |
