| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)17-8-5-14(24(28)29)11-20(17)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)/p+1 |
| InChIKey | InChI | 1.03 | YMZMTOFQCVHHFB-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(cc4C(O)=O)C(O)=O)=[N+](C)C)c1 |
| SMILES | CACTVS | 3.385 | CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(cc4C(O)=O)C(O)=O)=[N+](C)C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)O)C(=O)O |
