| Properties | Image |
MNX_ID | MNXM107301 |
 |
reference | keggD:D05203 |
formula | C22H30ClNO2 |
global charge | 0 |
mol weight | 375.94 |
InChIKey | QOWPUUFVFLIYRR-UHFFFAOYSA-N |
InChI | InChI=1S/C22H29NO2.ClH/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,17,21,23H,5,16H2,1-4H3;1H |
SMILES | CCC(OC(C)=O)C(CC(C)NC)(C1=CC=CC=C1)C1=CC=CC=C1.Cl |
MNX internals
InChI (mnx) | InChI=1/C22H29NO2.ClH/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,17,21,23H,5,16H2,1-4H3;1H/t17?,21?; |
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SMILES (mnx) | [CH3:1][CH2:5][CH:21]([C:22]([CH2:16][CH:17]([CH3:2])[NH:23][CH3:4])([C:19]1=[CH:12][CH:8]=[CH:6][CH:9]=[CH:13]1)[C:20]1=[CH:14][CH:10]=[CH:7][CH:11]=[CH:15]1)[O:25][C:18]([CH3:3])=[O:24].[ClH:26] |
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