種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(c2cc(c3cc(Oc1ccccc1)ccn23)c4ccccc4CO)C |
InChI | InChI | 1.03 | InChI=1S/C23H19NO3/c1-16(26)22-14-21(20-10-6-5-7-17(20)15-25)23-13-19(11-12-24(22)23)27-18-8-3-2-4-9-18/h2-14,25H,15H2,1H3 |
InChIKey | InChI | 1.03 | AHWAKNWAECVAHU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)c1cc(c2cc(Oc3ccccc3)ccn12)c4ccccc4CO |
SMILES | CACTVS | 3.370 | CC(=O)c1cc(c2cc(Oc3ccccc3)ccn12)c4ccccc4CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4CO |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4CO |