| Properties | Image |
MNX_ID | MNXM108003 |
 |
reference | chebi:135483 |
formula | C22H25NO3 |
global charge | 0 |
mol weight | 351.446 |
InChIKey | DXSUDONPFZKWOO-UHFFFAOYSA-N |
InChI | InChI=1S/C22H25NO3/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)26-20(25-21)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2 |
SMILES | O=C1OC(CCN2CCCCC2)OC1(C1=CC=CC=C1)C1=CC=CC=C1 |
MNX internals
InChI (mnx) | InChI=1/C22H25NO3/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)26-20(25-21)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2/t20? |
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SMILES (mnx) | [CH:1]1=[CH:4][CH:10]=[C:18]([C:22]2([C:19]3=[CH:12][CH:6]=[CH:2][CH:7]=[CH:13]3)[C:21](=[O:24])[O:25][CH:20]([CH2:14][CH2:17][N:23]3[CH2:15][CH2:8][CH2:3][CH2:9][CH2:16]3)[O:26]2)[CH:11]=[CH:5]1 |
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