種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(c1cc(c(OC)cc1O)C(C)C)N3Cc2ccccc2C3 |
SMILES_CANONICAL | CACTVS | 3.352 | COc1cc(O)c(cc1C(C)C)C(=O)N2Cc3ccccc3C2 |
SMILES | CACTVS | 3.352 | COc1cc(O)c(cc1C(C)C)C(=O)N2Cc3ccccc3C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)c1cc(c(cc1OC)O)C(=O)N2Cc3ccccc3C2 |
SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)c1cc(c(cc1OC)O)C(=O)N2Cc3ccccc3C2 |
InChI | InChI | 1.03 | InChI=1S/C19H21NO3/c1-12(2)15-8-16(17(21)9-18(15)23-3)19(22)20-10-13-6-4-5-7-14(13)11-20/h4-9,12,21H,10-11H2,1-3H3 |
InChIKey | InChI | 1.03 | RFBYLLKEEZKILL-UHFFFAOYSA-N |