Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(COC3CN(C(=O)C2CC1(COC(=O)N1)C2)C3)ccc(c(c4)Cl)C |
InChI | InChI | 1.03 | InChI=1S/C18H21ClN2O4/c1-11-2-3-12(4-15(11)19)9-24-14-7-21(8-14)16(22)13-5-18(6-13)10-25-17(23)20-18/h2-4,13-14H,5-10H2,1H3,(H,20,23)/t13-,18+ |
InChIKey | InChI | 1.03 | AKBHYCHPWZPGAH-QGGXVJLZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CO[C@H]2CN(C2)C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)cc1Cl |
SMILES | CACTVS | 3.385 | Cc1ccc(CO[CH]2CN(C2)C(=O)[CH]3C[C]4(COC(=O)N4)C3)cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4 |