Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2c1c(cccc1)C3=C(N2)CC(OC3)C(C)(C)CO |
InChI | InChI | 1.03 | InChI=1S/C16H19NO3/c1-16(2,9-18)14-7-13-12(8-20-14)10-5-3-4-6-11(10)15(19)17-13/h3-6,14,18H,7-9H2,1-2H3,(H,17,19)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | PZJOZWXZBQXTLD-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(CO)[C@H]1CC2=C(CO1)c3ccccc3C(=O)N2 |
SMILES | CACTVS | 3.370 | CC(C)(CO)[CH]1CC2=C(CO1)c3ccccc3C(=O)N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(CO)[C@H]1CC2=C(CO1)c3ccccc3C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(CO)C1CC2=C(CO1)c3ccccc3C(=O)N2 |