Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C=C(Oc2c1cc(cc2C(Nc3ccccc3)C)C)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3/t16-/m0/s1 |
InChIKey | InChI | 1.03 | VRCXIJAYLCUSHC-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Nc1ccccc1)c2cc(C)cc3C(=O)C=C(Oc23)N4CCOCC4 |
SMILES | CACTVS | 3.385 | C[CH](Nc1ccccc1)c2cc(C)cc3C(=O)C=C(Oc23)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc2c(c(c1)[C@H](C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc2c(c(c1)C(C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4 |