Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC1CCCC1)N3C(=O)CC3c2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C15H17NO3/c17-14-10-13(11-6-2-1-3-7-11)16(14)15(18)19-12-8-4-5-9-12/h1-3,6-7,12-13H,4-5,8-10H2/t13-/m0/s1 |
InChIKey | InChI | 1.03 | HXGULOODWVYRBT-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1C[C@H](N1C(=O)OC2CCCC2)c3ccccc3 |
SMILES | CACTVS | 3.385 | O=C1C[CH](N1C(=O)OC2CCCC2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)[C@@H]2CC(=O)N2C(=O)OC3CCCC3 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C2CC(=O)N2C(=O)OC3CCCC3 |