1-[4-(3-azanyl-3-methyl-5-oxidanyl-pentyl)phenyl]octan-1-one

Systemtic Name: 1-[4-(3-azanyl-3-methyl-5-oxidanyl-pentyl)phenyl]octan-1-one Openeye Name: 1-[4-(3-amino-5-hydroxy-3-methyl-pentyl)phenyl]octan-1-one CAS Name: 1-[4-(3-amino-5-hydroxy-3-methylpentyl)phenyl]-1-octanone IUPAC Name: 1-[4-(3-amino-5-hydroxy-3-methylpentyl)phenyl]octan-1-one Traditional Name: 1-[4-(3-amino-5-hydroxy-3-methyl-pentyl)phenyl]octan-1-one Formula: C20H33NO2 MolecularWeight: 319.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC=C(C=C1)CCC(C)(CCO)N

Isomeric SMILES

CCCCCCCC(=O)C1=CC=C(C=C1)CCC(C)(CCO)N

InChI

InChI=1S/C20H33NO2/c1-3-4-5-6-7-8-19(23)18-11-9-17(10-12-18)13-14-20(2,21)15-16-22/h9-12,22H,3-8,13-16,21H2,1-2H3