Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N)c1cc(ccc1)Cn2c4c(c3c2CCCCC3)cccc4C(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1cccc(Cn2c3CCCCCc3c4cccc(C(O)=O)c24)c1 |
SMILES | CACTVS | 3.341 | NC(=O)c1cccc(Cn2c3CCCCCc3c4cccc(C(O)=O)c24)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)C(=O)N)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCCC3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)C(=O)N)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCCC3 |
InChI | InChI | 1.03 | InChI=1S/C22H22N2O3/c23-21(25)15-7-4-6-14(12-15)13-24-19-11-3-1-2-8-16(19)17-9-5-10-18(20(17)24)22(26)27/h4-7,9-10,12H,1-3,8,11,13H2,(H2,23,25)(H,26,27) |
InChIKey | InChI | 1.03 | GKBQRPKZHUFGOB-UHFFFAOYSA-N |