XD4
Summary
| Name: | [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate |
| Formula: | C18 H25 N O2 |
| Formal charge: | 0 |
| Formula weight: | 287.397 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(1~{R},2~{R},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H25NO2/c1-11-9-12(5-6-14(11)19)16(20)21-15-10-13-7-8-18(15,4)17(13,2)3/h5-6,9,13,15H,7-8,10,19H2,1-4H3/t13-,15-,18+/m1/s1 |
| InChIKey | InChI | 1.03 | GKVIGQZAEPCDNT-SIIHOXLZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(ccc1N)C(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C |
| SMILES | CACTVS | 3.385 | Cc1cc(ccc1N)C(=O)O[CH]2C[CH]3CC[C]2(C)C3(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1N)C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1N)C(=O)OC2CC3CCC2(C3(C)C)C |
