Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1ccc(cc1)CC(=O)Nc1cc(OC)c(CC2NC(=O)OC2)cc1 |
InChI | InChI | 1.06 | InChI=1S/C19H19BrN2O4/c1-25-17-10-15(7-4-13(17)9-16-11-26-19(24)22-16)21-18(23)8-12-2-5-14(20)6-3-12/h2-7,10,16H,8-9,11H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1 |
InChIKey | InChI | 1.06 | GVSSEJUGEJTADP-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1C[C@H]3COC(=O)N3 |
SMILES | CACTVS | 3.385 | COc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1C[CH]3COC(=O)N3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1C[C@H]2COC(=O)N2)NC(=O)Cc3ccc(cc3)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1CC2COC(=O)N2)NC(=O)Cc3ccc(cc3)Br |