JVZ
Summary
| Name: | (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol |
| Formula: | C19 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 308.374 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H20N2O2/c22-16(11-21-13-20-18-6-1-2-7-19(18)21)12-23-17-9-8-14-4-3-5-15(14)10-17/h1-2,6-10,13,16,22H,3-5,11-12H2/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | OZCCXUVVMPVMIB-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](COc1ccc2CCCc2c1)Cn3cnc4ccccc34 |
| SMILES | CACTVS | 3.385 | O[CH](COc1ccc2CCCc2c1)Cn3cnc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ncn2C[C@@H](COc3ccc4c(c3)CCC4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ncn2CC(COc3ccc4c(c3)CCC4)O |
