Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(C)c2ccc1n(c(c(C(NCC=[C@H]C(=O)OC)=O)c1c2)C)C |
InChI | InChI | 1.03 | InChI=1S/C17H20N2O4/c1-11-16(17(21)18-9-5-6-15(20)23-4)13-10-12(22-3)7-8-14(13)19(11)2/h5-8,10H,9H2,1-4H3,(H,18,21) |
InChIKey | InChI | 1.03 | HNSHUPGGAGLETK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)/C=C/CNC(=O)c1c(C)n(C)c2ccc(OC)cc12 |
SMILES | CACTVS | 3.385 | COC(=O)C=CCNC(=O)c1c(C)n(C)c2ccc(OC)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c2cc(ccc2n1C)OC)C(=O)NCC=CC(=O)OC |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c2cc(ccc2n1C)OC)C(=O)NCC=CC(=O)OC |