A1JGD
Summary
| Name: | (4~{R})-~{N}-(3,4-dipropoxyphenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide |
| Formula: | C22 H26 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 382.453 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-~{N}-(3,4-dipropoxyphenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H26N2O4/c1-3-11-27-19-10-9-15(13-20(19)28-12-4-2)23-22(26)17-14-21(25)24-18-8-6-5-7-16(17)18/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,23,26)(H,24,25)/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | XUDBSYQVOOKJKF-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc23)cc1OCCC |
| SMILES | CACTVS | 3.385 | CCCOc1ccc(NC(=O)[CH]2CC(=O)Nc3ccccc23)cc1OCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCOc1ccc(cc1OCCC)NC(=O)[C@@H]2CC(=O)Nc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCOc1ccc(cc1OCCC)NC(=O)C2CC(=O)Nc3c2cccc3 |
