Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H20N2O3/c24-19-7-4-14-23(21(19)26)15-20(25)22-13-12-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-11,14,24H,12-13,15H2,(H,22,25) |
InChIKey | InChI | 1.03 | XKRQSRFKBWMVSU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1=CC=CN(CC(=O)NCCc2ccc(cc2)c3ccccc3)C1=O |
SMILES | CACTVS | 3.385 | OC1=CC=CN(CC(=O)NCCc2ccc(cc2)c3ccccc3)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)CCNC(=O)CN3C=CC=C(C3=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)CCNC(=O)CN3C=CC=C(C3=O)O |