種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(OC)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C19H18N2O5/c1-26-19(25)20-13-8-6-11(7-9-13)17(22)21-16-14-5-3-2-4-12(14)10-15(16)18(23)24/h2-9,15-16H,10H2,1H3,(H,20,25)(H,21,22)(H,23,24)/t15-,16+/m0/s1 |
InChIKey | InChI | 1.06 | QZUXMBWCGJKNAA-JKSUJKDBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)Nc1ccc(cc1)C(=O)N[C@H]2[C@H](Cc3ccccc23)C(O)=O |
SMILES | CACTVS | 3.385 | COC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3ccccc23)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)Nc1ccc(cc1)C(=O)N[C@@H]2c3ccccc3C[C@@H]2C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)Nc1ccc(cc1)C(=O)NC2c3ccccc3CC2C(=O)O |