Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C3C1N(C)C(CC1)CC3OC(=O)c2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(O)=O |
SMILES | CACTVS | 3.341 | CN1[CH]2CC[CH]1[CH]([CH](C2)OC(=O)c3ccccc3)C(O)=O |
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)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 |
InChIKey | InChI | 1.03 | GVGYEFKIHJTNQZ-RFQIPJPRSA-N |