Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+ |
InChIKey | InChI | 1.03 | RUUIHSHMHGOGMZ-QVIHXGFCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1CCN(CC1)c2ccc(cc2)/C(c3ccc(O)cc3)=C(/CCCO)c4ccccc4 |
SMILES | CACTVS | 3.385 | CC(C)N1CCN(CC1)c2ccc(cc2)C(c3ccc(O)cc3)=C(CCCO)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)N1CCN(CC1)c2ccc(cc2)C(=C(CCCO)c3ccccc3)c4ccc(cc4)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)N1CCN(CC1)c2ccc(cc2)C(=C(CCCO)c3ccccc3)c4ccc(cc4)O |