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

Systemtic Name: 1-[4-(3-azanyl-3-methyl-4-oxidanyl-butyl)phenyl]octan-1-one Openeye Name: 1-[4-(3-amino-4-hydroxy-3-methyl-butyl)phenyl]octan-1-one CAS Name: 1-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]-1-octanone IUPAC Name: 1-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]octan-1-one Traditional Name: 1-[4-(3-amino-4-hydroxy-3-methyl-butyl)phenyl]octan-1-one Formula: C19H31NO2 MolecularWeight: 305.45494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO2/c1-3-4-5-6-7-8-18(22)17-11-9-16(10-12-17)13-14-19(2,20)15-21/h9-12,21H,3-8,13-15,20H2,1-2H3