Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H15ClN2O8/c25-14-5-1-13(2-6-14)21(29)19-20(12-3-7-15(8-4-12)27(34)35)26(23(31)22(19)30)16-9-10-18(28)17(11-16)24(32)33/h1-11,20,28,30H,(H,32,33)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | JNIFVXVQHFKKPJ-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1O)N2[C@H](c3ccc(cc3)[N](=O)=O)C(=C(O)C2=O)C(=O)c4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1O)N2[CH](c3ccc(cc3)[N](=O)=O)C(=C(O)C2=O)C(=O)c4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@@H]2C(=C(C(=O)N2c3ccc(c(c3)C(=O)O)O)O)C(=O)c4ccc(cc4)Cl)N(=O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2C(=C(C(=O)N2c3ccc(c(c3)C(=O)O)O)O)C(=O)c4ccc(cc4)Cl)N(=O)=O |