Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4 |
SMILES_CANONICAL | CACTVS | 3.341 | O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4 |
SMILES | CACTVS | 3.341 | O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 |
InChIKey | InChI | 1.03 | CZQHHVNHHHRRDU-UHFFFAOYSA-N |