Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(OC(c1c(cccc1)Cl)c3cc2c(c(C(=O)O)ccn2)n3)CCN4CCCCC4 |
InChI | InChI | 1.03 | InChI=1S/C23H26ClN3O3/c24-18-8-3-2-7-16(18)22(30-14-6-13-27-11-4-1-5-12-27)20-15-19-21(26-20)17(23(28)29)9-10-25-19/h2-3,7-10,15,22,26H,1,4-6,11-14H2,(H,28,29)/t22-/m0/s1 |
InChIKey | InChI | 1.03 | MNARMTUGWVPRGA-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccnc2cc([nH]c12)[C@@H](OCCCN3CCCCC3)c4ccccc4Cl |
SMILES | CACTVS | 3.385 | OC(=O)c1ccnc2cc([nH]c12)[CH](OCCCN3CCCCC3)c4ccccc4Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCCN4CCCCC4)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(c2cc3c([nH]2)c(ccn3)C(=O)O)OCCCN4CCCCC4)Cl |