Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC1CC1)Nc1ccc(cc1)C(=O)N1CC(Cc2ccccc21)C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C21H21N3O4/c25-19(13-5-7-16(8-6-13)22-21(28)23-17-9-10-17)24-12-15(20(26)27)11-14-3-1-2-4-18(14)24/h1-8,15,17H,9-12H2,(H,26,27)(H2,22,23,28)/t15-/m0/s1 |
InChIKey | InChI | 1.06 | AOHBVEDXTIZALI-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CN(C(=O)c2ccc(NC(=O)NC3CC3)cc2)c4ccccc4C1 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CN(C(=O)c2ccc(NC(=O)NC3CC3)cc2)c4ccccc4C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C[C@@H](CN2C(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CC(CN2C(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O |