Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2ccccc2C3 |
SMILES_CANONICAL | CACTVS | 3.352 | CC(C)c1cc(c(O)cc1O)C(=O)N2Cc3ccccc3C2 |
SMILES | CACTVS | 3.352 | CC(C)c1cc(c(O)cc1O)C(=O)N2Cc3ccccc3C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2 |
SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2 |
InChI | InChI | 1.03 | InChI=1S/C18H19NO3/c1-11(2)14-7-15(17(21)8-16(14)20)18(22)19-9-12-5-3-4-6-13(12)10-19/h3-8,11,20-21H,9-10H2,1-2H3 |
InChIKey | InChI | 1.03 | DPKGPEGXWFTAIR-UHFFFAOYSA-N |