種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(O)C2N1C(=O)C(N)(CCC1CC2)Cc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C16H20N2O3/c17-16(10-11-4-2-1-3-5-11)9-8-12-6-7-13(14(19)20)18(12)15(16)21/h1-5,12-13H,6-10,17H2,(H,19,20)/t12-,13+,16+/m1/s1 |
InChIKey | InChI | 1.03 | CPHJQEQVQOMCAQ-WWGRRREGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@]1(CC[C@H]2CC[C@H](N2C1=O)C(O)=O)Cc3ccccc3 |
SMILES | CACTVS | 3.385 | N[C]1(CC[CH]2CC[CH](N2C1=O)C(O)=O)Cc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC2(CCC3CCC(N3C2=O)C(=O)O)N |