Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C=C(OC)C(Cc2c[NH]c3ccccc23)N1 |
InChI | InChI | 1.03 | InChI=1S/C14H14N2O2/c1-18-13-7-14(17)16-12(13)6-9-8-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15H,6H2,1H3,(H,16,17)/t12-/m0/s1 |
InChIKey | InChI | 1.03 | FDYXNJYFJLRJDR-LBPRGKRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC1=CC(=O)N[C@H]1Cc2c[nH]c3ccccc23 |
SMILES | CACTVS | 3.385 | COC1=CC(=O)N[CH]1Cc2c[nH]c3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC1=CC(=O)N[C@H]1Cc2c[nH]c3c2cccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | COC1=CC(=O)NC1Cc2c[nH]c3c2cccc3 |