Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC2(Cc1ccccc1)CCCC2)NC(C=O)CCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCC[C@H](NC(=O)OC1(CCCC1)Cc2ccccc2)C=O |
SMILES | CACTVS | 3.341 | CCCC[CH](NC(=O)OC1(CCCC1)Cc2ccccc2)C=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC[C@@H](C=O)NC(=O)OC1(CCCC1)Cc2ccccc2 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC(C=O)NC(=O)OC1(CCCC1)Cc2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | ONABDOMWRCXLPX-KRWDZBQOSA-N |