Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(OC)nc4c(c1)C(C(=O)Nc3cc2CCC(c2c(c3)F)(C)C)N(CC4)C(CCCC(O)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C26H30FN3O5/c1-26(2)11-9-15-13-16(14-18(27)23(15)26)28-25(34)24-17-7-8-20(35-3)29-19(17)10-12-30(24)21(31)5-4-6-22(32)33/h7-8,13-14,24H,4-6,9-12H2,1-3H3,(H,28,34)(H,32,33)/t24-/m1/s1 |
InChIKey | InChI | 1.03 | BENOEPUDOPGLCP-XMMPIXPASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[C@@H](N(CCc2n1)C(=O)CCCC(O)=O)C(=O)Nc3cc(F)c4c(CCC4(C)C)c3 |
SMILES | CACTVS | 3.385 | COc1ccc2[CH](N(CCc2n1)C(=O)CCCC(O)=O)C(=O)Nc3cc(F)c4c(CCC4(C)C)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(CCc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(CCc2c1c(cc(c2)NC(=O)C3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C |