A1IRJ
Summary
| Name: | 1-[2-(3,5-dicyclopropyl-4-ethynyl-phenyl)ethanoylamino]cyclohexane-1-carboxylic acid |
| Formula: | C23 H27 N O3 |
| Formal charge: | 0 |
| Formula weight: | 365.465 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-(3,5-dicyclopropyl-4-ethynyl-phenyl)ethanoylamino]cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H27NO3/c1-2-18-19(16-6-7-16)12-15(13-20(18)17-8-9-17)14-21(25)24-23(22(26)27)10-4-3-5-11-23/h1,12-13,16-17H,3-11,14H2,(H,24,25)(H,26,27) |
| InChIKey | InChI | 1.06 | POVIYJQHSAWKPJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)Cc2cc(C3CC3)c(C#C)c(c2)C4CC4 |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)Cc2cc(C3CC3)c(C#C)c(c2)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#Cc1c(cc(cc1C2CC2)CC(=O)NC3(CCCCC3)C(=O)O)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#Cc1c(cc(cc1C2CC2)CC(=O)NC3(CCCCC3)C(=O)O)C4CC4 |
