| Properties | Image |
MNX_ID | MNXM161516 |
 |
reference | chebi:78721 |
formula | C26H27N2O3 |
global charge | 1 |
mol weight | 415.513 |
InChIKey | PQMJQYONVLIFOV-UHFFFAOYSA-N |
InChI | InChI=1S/C26H27N2O3/c1-6-30-26(29)20-10-8-7-9-19(20)25-21-13-11-17(27(2)3)15-23(21)31-24-16-18(28(4)5)12-14-22(24)25/h7-16H,6H2,1-5H3/q+1 |
SMILES | CCOC(=O)C1=C(C2=C3C=CC(=[N+](C)C)C=C3OC3=C2C=CC(N(C)C)=C3)C=CC=C1 |
MNX internals
InChI (mnx) | InChI=1/C26H27N2O3/c1-6-30-26(29)20-10-8-7-9-19(20)25-21-13-11-17(27(2)3)15-23(21)31-24-16-18(28(4)5)12-14-22(24)25/h7-16H,6H2,1-5H3/q+1 |
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SMILES (mnx) | [CH3:1][CH2:6][O:30][C:26]([C:20]1=[CH:10][CH:8]=[CH:7][CH:9]=[C:19]1[C:25]1=[C:22]2[CH:14]=[CH:12][C:18]([N:28]([CH3:4])[CH3:5])=[CH:16][C:24]2=[O+:31][C:23]2=[C:21]1[CH:13]=[CH:11][C:17]([N:27]([CH3:2])[CH3:3])=[CH:15]2)=[O:29] |
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