Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C27H26N2O5/c1-2-14-29(17-21-12-13-23-25(34-18-33-23)24(21)27(31)32)16-20-10-6-7-11-22(20)26(30)28-15-19-8-4-3-5-9-19/h2-13H,1,14-18H2,(H,28,30)(H,31,32)/p-1 |
InChIKey | InChI | 1.03 | GNIJPYFYNUUVOY-UHFFFAOYSA-M |
SMILES | ACDLabs | 12.01 | O=C(NCc1ccccc1)c2ccccc2CN(C\C=C)Cc3ccc4OCOc4c3C([O-])=O |
SMILES_CANONICAL | CACTVS | 3.370 | [O-]C(=O)c1c(CN(CC=C)Cc2ccccc2C(=O)NCc3ccccc3)ccc4OCOc14 |
SMILES | CACTVS | 3.370 | [O-]C(=O)c1c(CN(CC=C)Cc2ccccc2C(=O)NCc3ccccc3)ccc4OCOc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)[O-])OCO4 |
SMILES | OpenEye OEToolkits | 1.7.2 | C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)[O-])OCO4 |