Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccc2C(=O)N(C(=O)c2c1)C1(C)CCC(=O)NC1=O |
InChI | InChI | 1.03 | InChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | VWVJRXADTDRXRW-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(O)=O |
SMILES | CACTVS | 3.385 | C[C]1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCC(=O)NC1=O)N2C(=O)c3ccc(cc3C2=O)C(=O)O |