Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H30N2O5/c1-15-12-23(13-16(2)27-15)21(24)14-26-22-11-17-8-9-19(25-3)20(10-17)28-18-6-4-5-7-18/h8-11,15-16,18H,4-7,12-14H2,1-3H3/b22-11+/t15-,16+ |
InChIKey | InChI | 1.03 | JEXHQZPMUKFOIV-RULQDBOMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(/C=N/OCC(=O)N2C[C@H](C)O[C@H](C)C2)cc1OC3CCCC3 |
SMILES | CACTVS | 3.385 | COc1ccc(C=NOCC(=O)N2C[CH](C)O[CH](C)C2)cc1OC3CCCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1CN(CC(O1)C)C(=O)CON=Cc2ccc(c(c2)OC3CCCC3)OC |