Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NO)C1CC1(C(=O)OC)Cc4ccc(OCc2c3ccccc3nc(c2)C)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@]1(C[C@@H]1C(=O)NO)Cc2ccc(OCc3cc(C)nc4ccccc34)cc2 |
SMILES | CACTVS | 3.341 | COC(=O)[C]1(C[CH]1C(=O)NO)Cc2ccc(OCc3cc(C)nc4ccccc34)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(c2ccccc2n1)COc3ccc(cc3)C[C@@]4(C[C@@H]4C(=O)NO)C(=O)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(c2ccccc2n1)COc3ccc(cc3)CC4(CC4C(=O)NO)C(=O)OC |
InChI | InChI | 1.03 | InChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-31-18-9-7-16(8-10-18)12-24(23(28)30-2)13-20(24)22(27)26-29/h3-11,20,29H,12-14H2,1-2H3,(H,26,27)/t20-,24+/m1/s1 |
InChIKey | InChI | 1.03 | HJWMYFBKJRVWJY-YKSBVNFPSA-N |