Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2c(cccc2)CC3 |
InChI | InChI | 1.03 | InChI=1S/C19H21NO3/c1-12(2)15-9-16(18(22)10-17(15)21)19(23)20-8-7-13-5-3-4-6-14(13)11-20/h3-6,9-10,12,21-22H,7-8,11H2,1-2H3 |
InChIKey | InChI | 1.03 | ZBQGGHXOKIRSAH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(c(O)cc1O)C(=O)N2CCc3ccccc3C2 |
SMILES | CACTVS | 3.385 | CC(C)c1cc(c(O)cc1O)C(=O)N2CCc3ccccc3C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)c1cc(c(cc1O)O)C(=O)N2CCc3ccccc3C2 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)c1cc(c(cc1O)O)C(=O)N2CCc3ccccc3C2 |