Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N1(C(C(O)=O)CCC1)/C(=C\C(=O)c2ccc(cc2)C)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C21H21NO3/c1-15-9-11-17(12-10-15)20(23)14-19(16-6-3-2-4-7-16)22-13-5-8-18(22)21(24)25/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,24,25)/b19-14-/t18-/m0/s1 |
InChIKey | InChI | 1.03 | IZNIJIYIMREDQL-OWBBTNHHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)C(=O)\C=C(/N2CCC[C@H]2C(O)=O)c3ccccc3 |
SMILES | CACTVS | 3.385 | Cc1ccc(cc1)C(=O)C=C(N2CCC[CH]2C(O)=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)C(=O)/C=C(/c2ccccc2)\N3CCC[C@H]3C(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)C(=O)C=C(c2ccccc2)N3CCCC3C(=O)O |