Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(CCCOC)C(=O)C(N(c1ccc(cc1)C(C)(C)C)C(CC)=O)c2cnccc2 |
InChI | InChI | 1.03 | InChI=1S/C24H33N3O3/c1-6-21(28)27(20-12-10-19(11-13-20)24(2,3)4)22(18-9-7-14-25-17-18)23(29)26-15-8-16-30-5/h7,9-14,17,22H,6,8,15-16H2,1-5H3,(H,26,29)/t22-/m1/s1 |
InChIKey | InChI | 1.03 | BWBBQIUIWNQPIO-JOCHJYFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N([C@@H](C(=O)NCCCOC)c1cccnc1)c2ccc(cc2)C(C)(C)C |
SMILES | CACTVS | 3.385 | CCC(=O)N([CH](C(=O)NCCCOC)c1cccnc1)c2ccc(cc2)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCCOC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NCCCOC |