Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | ClCCC(=O)C(NC(=O)C(NC(=O)C)C)Cc1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCCl |
SMILES | CACTVS | 3.341 | C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)C(=O)CCCl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)CCCl)NC(=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)NC(Cc1ccccc1)C(=O)CCCl)NC(=O)C |
InChI | InChI | 1.03 | InChI=1S/C16H21ClN2O3/c1-11(18-12(2)20)16(22)19-14(15(21)8-9-17)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,18,20)(H,19,22)/t11-,14-/m0/s1 |
InChIKey | InChI | 1.03 | WABWAIGLGFELMI-FZMZJTMJSA-N |