H8W
Summary
| Name: | 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid |
| Formula: | C23 H27 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 377.479 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H27N3O2/c1-15(2)14-26-12-11-18-19(8-9-21-20(18)13-24-25-21)23(26)17-6-3-16(4-7-17)5-10-22(27)28/h3-4,6-9,13,15,23H,5,10-12,14H2,1-2H3,(H,24,25)(H,27,28)/t23-/m1/s1 |
| InChIKey | InChI | 1.03 | PXIRDOQOUCTDMZ-HSZRJFAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CN1CCc2c(ccc3[nH]ncc23)[C@H]1c4ccc(CCC(O)=O)cc4 |
| SMILES | CACTVS | 3.385 | CC(C)CN1CCc2c(ccc3[nH]ncc23)[CH]1c4ccc(CCC(O)=O)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)CN1CCc2c(ccc3c2cn[nH]3)[C@H]1c4ccc(cc4)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CN1CCc2c(ccc3c2cn[nH]3)C1c4ccc(cc4)CCC(=O)O |
