9BC
Summary
| Name: | 1-(2-{[(diphenylmethylidene)amino]oxy}ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid |
| Synonyms: | NO-711 |
| Formula: | C21 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 350.411 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-[(diphenylmethylidene)amino]oxyethyl]-3,6-dihydro-2~{H}-pyridine-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H22N2O3/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12H,7,13-16H2,(H,24,25) |
| InChIKey | InChI | 1.03 | NGNALWDRPKNJGR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CCCN(CCON=C(c2ccccc2)c3ccccc3)C1 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=CCCN(CCON=C(c2ccccc2)c3ccccc3)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=NOCCN2CCC=C(C2)C(=O)O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=NOCCN2CCC=C(C2)C(=O)O)c3ccccc3 |
