Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(OC)ccc2c(c1)c(CCNC(=O)C(C)(C)C)cn2 |
InChI | InChI | 1.03 | InChI=1S/C16H22N2O2/c1-16(2,3)15(19)17-8-7-11-10-18-14-6-5-12(20-4)9-13(11)14/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19) |
InChIKey | InChI | 1.03 | CUMVZJLZCUYFCZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[nH]cc(CCNC(=O)C(C)(C)C)c2c1 |
SMILES | CACTVS | 3.385 | COc1ccc2[nH]cc(CCNC(=O)C(C)(C)C)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC |