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English
KOM70144
chemical compound
5-acetamido-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
346.168127944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₂N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)=Nc1ccc(C)c(C(O)=NC(C)c2cccc3ccccc23)c1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
KGPYBLOBHQLIET-OAHLLOKOSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
1093070-14-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
44235889
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
KGPYBLOBHQLIET-OAHLLOKOSA-N
ChEBI ID
167314
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/m1/s1
UniChem compound ID
271106
1 reference
stated in
UniChem
Probes And Drugs ID
PD101194
0 references
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