種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCC(c1ccccc1)(c2ccccc2)c3cccc(c3)C |
InChI | InChI | 1.03 | InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1 |
InChIKey | InChI | 1.03 | JXIGVUPYYZGRRZ-JOCHJYFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)C(CC[C@@H](N)C(O)=O)(c2ccccc2)c3ccccc3 |
SMILES | CACTVS | 3.385 | Cc1cccc(c1)C(CC[CH](N)C(O)=O)(c2ccccc2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1)C(CCC(C(=O)O)N)(c2ccccc2)c3ccccc3 |