| Properties | Image |
MNX_ID | MNXM104835 |
 |
reference | chebi:177766 |
formula | C26H28ClNO |
global charge | 0 |
mol weight | 405.969 |
InChIKey | GKIRPKYJQBWNGO-QPLCGJKRSA-N |
InChI | InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25- |
SMILES | CCN(CC)CCOC1=CC=C(/C(C2=CC=CC=C2)=C(\Cl)C2=CC=CC=C2)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25- |
 |
SMILES (mnx) | [CH3:1][CH2:3][N:28]([CH2:4][CH3:2])[CH2:19][CH2:20][O:29][C:24]1=[CH:18][CH:16]=[C:22](/[C:25]([C:21]2=[CH:11][CH:7]=[CH:5][CH:8]=[CH:12]2)=[C:26](/[C:23]2=[CH:13][CH:9]=[CH:6][CH:10]=[CH:14]2)[Cl:27])[CH:15]=[CH:17]1 |
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