H10
Summary
| Name: | 1-hydroxy-1-[(2R)-4-{3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea |
| Formula: | C21 H26 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 354.443 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-hydroxy-1-[(2R)-4-{3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea |
| OpenEye OEToolkits | 1.7.2 | 1-[(2R)-4-[3-(1-adamantyloxy)phenyl]but-3-yn-2-yl]-1-oxidanyl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)N(O)C(C#Cc4cc(OC12CC3CC(C1)CC(C2)C3)ccc4)C |
| InChI | InChI | 1.03 | InChI=1S/C21H26N2O3/c1-14(23(25)20(22)24)5-6-15-3-2-4-19(10-15)26-21-11-16-7-17(12-21)9-18(8-16)13-21/h2-4,10,14,16-18,25H,7-9,11-13H2,1H3,(H2,22,24)/t14-,16-,17+,18-,21-/m1/s1 |
| InChIKey | InChI | 1.03 | PFKKAYHOZBGYNL-YUZRNDJPSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](C#Cc1cccc(OC23CC4CC(CC(C4)C2)C3)c1)N(O)C(N)=O |
| SMILES | CACTVS | 3.370 | C[CH](C#Cc1cccc(OC23CC4CC(CC(C4)C2)C3)c1)N(O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[C@H](C#Cc1cccc(c1)OC23CC4CC(C2)CC(C4)C3)N(C(=O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C#Cc1cccc(c1)OC23CC4CC(C2)CC(C4)C3)N(C(=O)N)O |
