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

Systemtic Name: 1-[4-(3-azanyl-3-ethyl-5-oxidanyl-pentyl)phenyl]octan-1-one Openeye Name: 1-[4-(3-amino-3-ethyl-5-hydroxy-pentyl)phenyl]octan-1-one CAS Name: 1-[4-(3-amino-3-ethyl-5-hydroxypentyl)phenyl]-1-octanone IUPAC Name: 1-[4-(3-amino-3-ethyl-5-hydroxypentyl)phenyl]octan-1-one Traditional Name: 1-[4-(3-amino-3-ethyl-5-hydroxy-pentyl)phenyl]octan-1-one Formula: C21H35NO2 MolecularWeight: 333.5081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO2/c1-3-5-6-7-8-9-20(24)19-12-10-18(11-13-19)14-15-21(22,4-2)16-17-23/h10-13,23H,3-9,14-17,22H2,1-2H3