Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1c(N)ccc(c1)C(=O)c2c(c(OC)c3ccccn23)C |
SMILES_CANONICAL | CACTVS | 3.370 | COc1c(C)c(n2ccccc12)C(=O)c3ccc(N)c(c3)C(O)=O |
SMILES | CACTVS | 3.370 | COc1c(C)c(n2ccccc12)C(=O)c3ccc(N)c(c3)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)OC |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)OC |
InChI | InChI | 1.03 | InChI=1S/C18H16N2O4/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23/h3-9H,19H2,1-2H3,(H,22,23) |
InChIKey | InChI | 1.03 | SNMCWIDCSPHZRD-UHFFFAOYSA-N |