Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1ccc(cc1)CC(C(=O)OC)NC(=O)CCCCCCC(=O)NO |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCCCC(=O)NO |
SMILES | CACTVS | 3.341 | COC(=O)[CH](Cc1ccc(Br)cc1)NC(=O)CCCCCCC(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO |
SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)C(Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C18H25BrN2O5/c1-26-18(24)15(12-13-8-10-14(19)11-9-13)20-16(22)6-4-2-3-5-7-17(23)21-25/h8-11,15,25H,2-7,12H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | UPYGSQPRAHMDPD-HNNXBMFYSA-N |