Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1NC(C=4C3=NC(N2CCOCC2)=CC(=O)N3C=C(C=4)C)C |
InChI | InChI | 1.03 | InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | IRTDIKMSKMREGO-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Nc1ccccc1C(O)=O)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C |
SMILES | CACTVS | 3.385 | C[CH](Nc1ccccc1C(O)=O)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3C(=O)O)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)Nc3ccccc3C(=O)O)N4CCOCC4 |