ELK
Summary
| Name: | ~{N}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidine-1-carboxamide |
| Formula: | C22 H26 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 410.466 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H26N4O4/c1-14-7-8-15(13-19(14)30-3)23-21(27)25-11-9-16(10-12-25)26-17-5-4-6-18(29-2)20(17)24-22(26)28/h4-8,13,16H,9-12H2,1-3H3,(H,23,27)(H,24,28) |
| InChIKey | InChI | 1.03 | CPZCKKAMAVISMR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(NC(=O)N2CCC(CC2)N3C(=O)Nc4c(OC)cccc34)ccc1C |
| SMILES | CACTVS | 3.385 | COc1cc(NC(=O)N2CCC(CC2)N3C(=O)Nc4c(OC)cccc34)ccc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)OC |
