| Properties | Image |
|---|
| MNX_ID | MNXM1172910 |
 |
| reference | envipathM:...66e5bf7390f8 |
| formula | C31H26FN2O5 |
| global charge | -1 |
| mol weight | 525.556 |
| InChIKey | NVDGPYSFNXQOAU-UHFFFAOYSA-M |
| InChI | InChI=1S/C31H27FN2O5/c1-20(19-35)29-28(31(39)33-24-10-6-3-7-11-24)27(21-8-4-2-5-9-21)30(22-12-14-23(32)15-13-22)34(29)17-16-25(36)18-26(37)38/h2-15,19-20H,16-18H2,1H3,(H,33,39)(H,37,38)/p-1 |
| SMILES | CC(C=O)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC=C2)=C(C2=CC=C(F)C=C2)N1CCC(=O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C31H27FN2O5/c1-20(19-35)29-28(31(39)33-24-10-6-3-7-11-24)27(21-8-4-2-5-9-21)30(22-12-14-23(32)15-13-22)34(29)17-16-25(36)18-26(37)38/h2-15,19-20H,16-18H2,1H3,(H,33,39)(H,37,38)/t20? |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH:19]=[O:35])[C:29]1=[C:28]([C:31](=[N:33][C:24]2=[CH:10][CH:6]=[CH:3][CH:7]=[CH:11]2)[OH:39])[C:27]([C:21]2=[CH:8][CH:4]=[CH:2][CH:5]=[CH:9]2)=[C:30]([C:22]2=[CH:13][CH:15]=[C:23]([F:32])[CH:14]=[CH:12]2)[N:34]1[CH2:17][CH2:16][C:25]([CH2:18][C:26](=[O:37])[OH:38])=[O:36] |
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