種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C2c1c(cccc1)CN2C(c3cc(C(C)C)c(C=O)cc3O)=O |
InChI | InChI | 1.03 | InChI=1S/C19H19NO3/c1-12(2)16-8-17(18(22)7-15(16)11-21)19(23)20-9-13-5-3-4-6-14(13)10-20/h3-8,11-12,22H,9-10H2,1-2H3 |
InChIKey | InChI | 1.03 | SVCSVCKMYMUSOV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(c(O)cc1C=O)C(=O)N2Cc3ccccc3C2 |
SMILES | CACTVS | 3.385 | CC(C)c1cc(c(O)cc1C=O)C(=O)N2Cc3ccccc3C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2 |