Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3 |
SMILES_CANONICAL | CACTVS | 3.341 | O=C[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3 |
SMILES | CACTVS | 3.341 | O=C[CH]1CCCN1C(=O)[CH]2CCCN2C(=O)OCc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COC(=O)N2CCCC2C(=O)N3CCCC3C=O |
InChI | InChI | 1.03 | InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1 |
InChIKey | InChI | 1.03 | ORZXYSPOAVJYRU-HOTGVXAUSA-N |