Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2ccc(c1ccc(C(NC(OC(C)(C)C)=O)C(NO)=O)cc1)cc2 |
InChI | InChI | 1.03 | InChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)20-16(17(22)21-24)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,16,24H,1-3H3,(H,20,23)(H,21,22)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | BENZKHKGKDQWFM-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)N[C@H](C(=O)NO)c1ccc(cc1)c2ccccc2 |
SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)N[CH](C(=O)NO)c1ccc(cc1)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2ccccc2)C(=O)NO |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)OC(=O)NC(c1ccc(cc1)c2ccccc2)C(=O)NO |