H2X
Summary
| Name: | 4-bromanyl-2-[[2-[(E)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol |
| Formula: | C19 H23 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 391.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-bromanyl-2-[[2-[(~{E})-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H23BrN2O2/c1-13(14-6-5-7-17(11-14)24-4)22-19(2,3)21-12-15-10-16(20)8-9-18(15)23/h5-11,21,23H,12H2,1-4H3/b22-13+ |
| InChIKey | InChI | 1.03 | KYCOBMQFSPNZHT-LPYMAVHISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)C(C)=NC(C)(C)NCc2cc(Br)ccc2O |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)C(C)=NC(C)(C)NCc2cc(Br)ccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=N\C(C)(C)NCc1cc(ccc1O)Br)/c2cccc(c2)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=NC(C)(C)NCc1cc(ccc1O)Br)c2cccc(c2)OC |
