Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1ccc(O)cc1O)N3CCCC3c2c(cccc2)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccccc1[C@H]2CCCN2C(=O)c3ccc(O)cc3O |
SMILES | CACTVS | 3.341 | Cc1ccccc1[CH]2CCCN2C(=O)c3ccc(O)cc3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1[C@H]2CCCN2C(=O)c3ccc(cc3O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1C2CCCN2C(=O)c3ccc(cc3O)O |
InChI | InChI | 1.03 | InChI=1S/C18H19NO3/c1-12-5-2-3-6-14(12)16-7-4-10-19(16)18(22)15-9-8-13(20)11-17(15)21/h2-3,5-6,8-9,11,16,20-21H,4,7,10H2,1H3/t16-/m1/s1 |
InChIKey | InChI | 1.03 | TWODFUZHWYZBHZ-MRXNPFEDSA-N |