(5E,7E,9E)-N-butyl-12-methyl-4,11-bis(oxidanyl)hexadeca-5,7,9-trien-14-ynamide

Systemtic Name: (5E,7E,9E)-N-butyl-12-methyl-4,11-bis(oxidanyl)hexadeca-5,7,9-trien-14-ynamide Openeye Name: (5E,7E,9E)-N-butyl-4,11-dihydroxy-12-methyl-hexadeca-5,7,9-trien-14-ynamide CAS Name: (5E,7E,9E)-N-butyl-4,11-dihydroxy-12-methylhexadeca-5,7,9-trien-14-ynamide IUPAC Name: (5E,7E,9E)-N-butyl-4,11-dihydroxy-12-methylhexadeca-5,7,9-trien-14-ynamide Traditional Name: (5E,7E,9E)-N-butyl-4,11-dihydroxy-12-methyl-hexadeca-5,7,9-trien-14-ynamide Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC(C=CC=CC=CC(C(C)CC#CC)O)O

Isomeric SMILES

CCCCNC(=O)CCC(/C=C/C=C/C=C/C(C(C)CC#CC)O)O

InChI

InChI=1S/C21H33NO3/c1-4-6-12-18(3)20(24)14-11-9-8-10-13-19(23)15-16-21(25)22-17-7-5-2/h8-11,13-14,18-20,23-24H,5,7,12,15-17H2,1-3H3,(H,22,25)/b9-8+,13-10+,14-11+