Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc2c(cc1)N(C(=O)C2)Cc3ccc4OCOc4c3C(=O)O |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1c(CN2C(=O)Cc3cc(Cl)ccc23)ccc4OCOc14 |
SMILES | CACTVS | 3.370 | OC(=O)c1c(CN2C(=O)Cc3cc(Cl)ccc23)ccc4OCOc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4 |
InChI | InChI | 1.03 | InChI=1S/C17H12ClNO5/c18-11-2-3-12-10(5-11)6-14(20)19(12)7-9-1-4-13-16(24-8-23-13)15(9)17(21)22/h1-5H,6-8H2,(H,21,22) |
InChIKey | InChI | 1.03 | ZWUIUQQUOGIKGU-UHFFFAOYSA-N |