Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | o3c(cc(c1ccc(cc1)C(N)NC2CCCC2)c3)c4ccc(cc4)C(N)NC5CCCC5 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](NC1CCCC1)c2ccc(cc2)c3occ(c3)c4ccc(cc4)[C@@H](N)NC5CCCC5 |
SMILES | CACTVS | 3.341 | N[CH](NC1CCCC1)c2ccc(cc2)c3occ(c3)c4ccc(cc4)[CH](N)NC5CCCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc(oc2)c3ccc(cc3)C(N)NC4CCCC4)C(N)NC5CCCC5 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc(oc2)c3ccc(cc3)C(N)NC4CCCC4)C(N)NC5CCCC5 |
InChI | InChI | 1.03 | InChI=1S/C28H36N4O/c29-27(31-24-5-1-2-6-24)21-13-9-19(10-14-21)23-17-26(33-18-23)20-11-15-22(16-12-20)28(30)32-25-7-3-4-8-25/h9-18,24-25,27-28,31-32H,1-8,29-30H2/t27-,28-/m0/s1 |
InChIKey | InChI | 1.03 | FLFSILOLXPNOJR-NSOVKSMOSA-N |