Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3C(=C(CC1CCCCC1)N(COCc2ccccc2)C(N3O)=O)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C22H30N2O4/c1-16(2)20-19(13-17-9-5-3-6-10-17)23(22(26)24(27)21(20)25)15-28-14-18-11-7-4-8-12-18/h4,7-8,11-12,16-17,27H,3,5-6,9-10,13-15H2,1-2H3 |
InChIKey | InChI | 1.03 | ROZLWEMOPMWULZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=C(CC2CCCCC2)N(COCc3ccccc3)C(=O)N(O)C1=O |
SMILES | CACTVS | 3.385 | CC(C)C1=C(CC2CCCCC2)N(COCc3ccccc3)C(=O)N(O)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)C1=C(N(C(=O)N(C1=O)O)COCc2ccccc2)CC3CCCCC3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C1=C(N(C(=O)N(C1=O)O)COCc2ccccc2)CC3CCCCC3 |