Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)CCCCc2cc1Nc3c(Oc1cc2O)cc(O)cc3 |
InChI | InChI | 1.03 | InChI=1S/C17H18N2O4/c18-17(22)4-2-1-3-10-7-13-16(9-14(10)21)23-15-8-11(20)5-6-12(15)19-13/h5-9,19-21H,1-4H2,(H2,18,22) |
InChIKey | InChI | 1.03 | NQCQIFYOQVPSOG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CCCCc1cc2Nc3ccc(O)cc3Oc2cc1O |
SMILES | CACTVS | 3.385 | NC(=O)CCCCc1cc2Nc3ccc(O)cc3Oc2cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O |