2-[(4S,6S)-6-azanyl-7-oxidanyl-octan-4-yl]oxy-4-chloranyl-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[(4S,6S)-6-azanyl-7-oxidanyl-octan-4-yl]oxy-4-chloranyl-5-fluoranyl-benzenecarbonitrile Openeye Name: 2-[(1S,3S)-3-amino-4-hydroxy-1-propyl-pentoxy]-4-chloro-5-fluoro-benzonitrile CAS Name: 2-[(4S,6S)-6-amino-7-hydroxyoctan-4-yl]oxy-4-chloro-5-fluorobenzonitrile IUPAC Name: 2-[(4S,6S)-6-amino-7-hydroxyoctan-4-yl]oxy-4-chloro-5-fluorobenzonitrile Traditional Name: 2-[(1S,3S)-3-amino-4-hydroxy-1-propyl-pentoxy]-4-chloro-5-fluoro-benzonitrile Formula: C15H20ClFN2O2 MolecularWeight: 314.782903

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C(C)O)N)OC1=CC(=C(C=C1C#N)F)Cl

Isomeric SMILES

CCC[C@@H](C[C@@H](C(C)O)N)OC1=CC(=C(C=C1C#N)F)Cl

InChI

InChI=1S/C15H20ClFN2O2/c1-3-4-11(6-14(19)9(2)20)21-15-7-12(16)13(17)5-10(15)8-18/h5,7,9,11,14,20H,3-4,6,19H2,1-2H3/t9?,11-,14-/m0/s1