Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Capsaicin 404-86-4 1548943

Structure Other Information
Canonical SMILES CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
Iso SMILES CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
InChI Key YKPUWZUDDOIDPM-SOFGYWHQSA-N
Formula C18H27NO3
Mol Weight 305.412
XlogP3 3.6
Charge 0

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Synonyms Information
CAS Name (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide
IUPAC Name (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide
Openeye Name (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
Systematic Name (E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-methyl-non-6-enamide
Tratitional Name (E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-methyl-non-6-enamide