Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(\O)=C\C(=O)C2(CCN(CC1CCCCC1)CC2)Cc3ccc(Cl)cc3 |
InChI | InChI | 1.03 | InChI=1S/C23H30ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h6-9,14,18,26H,1-5,10-13,15-16H2,(H,28,29)/b20-14- |
InChIKey | InChI | 1.03 | XWMHHMXKNMXGDP-ZHZULCJRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(/O)=C/C(=O)C1(CCN(CC1)CC2CCCCC2)Cc3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | OC(=O)C(O)=CC(=O)C1(CCN(CC1)CC2CCCCC2)Cc3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)/C=C(/C(=O)O)\O)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)C=C(C(=O)O)O)Cl |