Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCCCO)c1ccc(cc1)\C=C\c2cc(OC)c(OC)c(OC)c2 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(/C=C/c2ccc(cc2)C(=O)NCCCO)cc(OC)c1OC |
SMILES | CACTVS | 3.341 | COc1cc(C=Cc2ccc(cc2)C(=O)NCCCO)cc(OC)c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1OC)OC)\C=C\c2ccc(cc2)C(=O)NCCCO |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1OC)OC)C=Cc2ccc(cc2)C(=O)NCCCO |
InChI | InChI | 1.03 | InChI=1S/C21H25NO5/c1-25-18-13-16(14-19(26-2)20(18)27-3)6-5-15-7-9-17(10-8-15)21(24)22-11-4-12-23/h5-10,13-14,23H,4,11-12H2,1-3H3,(H,22,24)/b6-5+ |
InChIKey | InChI | 1.03 | SQVJHGZFSPTRKL-AATRIKPKSA-N |