(2S)-N-[[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine

Systemtic Name: (2S)-N-[[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine Openeye Name: (2S)-N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine CAS Name: (2S)-N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-butanamine IUPAC Name: (2S)-N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-[(1S)-1-methylpropyl]amine Formula: C20H25BrFNO2 MolecularWeight: 410.320403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2F)OCC

Isomeric SMILES

CC[C@H](C)NCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2F)OCC

InChI

InChI=1S/C20H25BrFNO2/c1-4-14(3)23-12-15-10-17(21)20(19(11-15)24-5-2)25-13-16-8-6-7-9-18(16)22/h6-11,14,23H,4-5,12-13H2,1-3H3/t14-/m0/s1