N-[(2S)-4-[3-(4-fluoranylphenoxy)phenyl]but-3-yn-2-yl]-2-phenoxy-aniline

Systemtic Name: N-[(2S)-4-[3-(4-fluoranylphenoxy)phenyl]but-3-yn-2-yl]-2-phenoxy-aniline Openeye Name: N-[(1S)-3-[3-(4-fluorophenoxy)phenyl]-1-methyl-prop-2-ynyl]-2-phenoxy-aniline CAS Name: N-[(2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-yn-2-yl]-2-phenoxyaniline IUPAC Name: N-[(2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-yn-2-yl]-2-phenoxyaniline Traditional Name: [(1S)-3-[3-(4-fluorophenoxy)phenyl]-1-methyl-prop-2-ynyl]-(2-phenoxyphenyl)amine Formula: C28H22FNO2 MolecularWeight: 423.478183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC(=CC=C1)OC2=CC=C(C=C2)F)NC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C#CC1=CC(=CC=C1)OC2=CC=C(C=C2)F)NC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C28H22FNO2/c1-21(30-27-12-5-6-13-28(27)32-24-9-3-2-4-10-24)14-15-22-8-7-11-26(20-22)31-25-18-16-23(29)17-19-25/h2-13,16-21,30H,1H3/t21-/m0/s1