種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C(c1c(ccc(c1)NC(\C=C)=O)C)(NC(c3cccc2c3cccc2)C)=O |
InChI | InChI | 1.03 | InChI=1S/C23H22N2O2/c1-4-22(26)25-18-13-12-15(2)21(14-18)23(27)24-16(3)19-11-7-9-17-8-5-6-10-20(17)19/h4-14,16H,1H2,2-3H3,(H,24,27)(H,25,26)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | QMJFETCLZITVFG-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)c1cc(NC(=O)C=C)ccc1C)c2cccc3ccccc23 |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)c1cc(NC(=O)C=C)ccc1C)c2cccc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)C=C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)NC(=O)C=C |