Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)/C(c2ccccc2)=C(\c3ccccc3)CC)CCN(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC/C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCCN(C)C)cc3 |
SMILES | CACTVS | 3.341 | CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCCN(C)C)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- |
InChIKey | InChI | 1.03 | NKANXQFJJICGDU-QPLCGJKRSA-N |