Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC)C3C1N(C)C(CC1)CC3OC(=O)c2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3 |
SMILES | CACTVS | 3.341 | COC(=O)[CH]1[CH](C[CH]2CC[CH]1N2C)OC(=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(=O)OC |
InChI | InChI | 1.03 | InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 |
InChIKey | InChI | 1.03 | ZPUCINDJVBIVPJ-LJISPDSOSA-N |