Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC1CCCC1)NC(c2ccccc2)CC=O |
InChI | InChI | 1.03 | InChI=1S/C15H19NO3/c17-11-10-14(12-6-2-1-3-7-12)16-15(18)19-13-8-4-5-9-13/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,18)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | JHRUSYOIALPZLD-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=CC[C@@H](NC(=O)OC1CCCC1)c2ccccc2 |
SMILES | CACTVS | 3.385 | O=CC[CH](NC(=O)OC1CCCC1)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)[C@@H](CC=O)NC(=O)OC2CCCC2 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(CC=O)NC(=O)OC2CCCC2 |