Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C=1(C(OC(=CC=1O)C(C)CC[C@H]=[C@H]NC(=O)OC)=O)C(=O)C(C)=[C@H]\C=C(/C)CCCC |
InChI | InChI | 1.03 | InChI=1S/C24H33NO6/c1-6-7-10-16(2)12-13-18(4)22(27)21-19(26)15-20(31-23(21)28)17(3)11-8-9-14-25-24(29)30-5/h9,12-15,17,26H,6-8,10-11H2,1-5H3,(H,25,29)/b14-9+,16-12+,18-13+/t17-/m1/s1 |
InChIKey | InChI | 1.03 | SPQDIDVJAZFBRL-WXFBSNOUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCC(/C)=C/C=C(C)/C(=O)C1=C(O)C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC |
SMILES | CACTVS | 3.385 | CCCCC(C)=CC=C(C)C(=O)C1=C(O)C=C(OC1=O)[CH](C)CCC=CNC(=O)OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCC(=CC=C(C)C(=O)C1=C(C=C(OC1=O)C(C)CCC=CNC(=O)OC)O)C |