Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N(c2ccc(Oc1ccccc1)cc2C(=O)O)C(C)C)C3CCC(C)CC3 |
InChI | InChI | 1.03 | InChI=1S/C24H29NO4/c1-16(2)25(23(26)18-11-9-17(3)10-12-18)22-14-13-20(15-21(22)24(27)28)29-19-7-5-4-6-8-19/h4-8,13-18H,9-12H2,1-3H3,(H,27,28)/t17-,18- |
InChIKey | InChI | 1.03 | ICLINNCKFPTXOX-IYARVYRRSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)N(C(=O)[C@H]1CC[C@H](C)CC1)c2ccc(Oc3ccccc3)cc2C(O)=O |
SMILES | CACTVS | 3.370 | CC(C)N(C(=O)[CH]1CC[CH](C)CC1)c2ccc(Oc3ccccc3)cc2C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3)C(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3)C(C)C |