(1S,4S)-4-(benzotriazol-1-yl)-4-ethoxy-1-phenyl-oct-2-yn-1-ol

Systemtic Name: (1S,4S)-4-(benzotriazol-1-yl)-4-ethoxy-1-phenyl-oct-2-yn-1-ol Openeye Name: (1S,4S)-4-(benzotriazol-1-yl)-4-ethoxy-1-phenyl-oct-2-yn-1-ol CAS Name: (1S,4S)-4-(1-benzotriazolyl)-4-ethoxy-1-phenyl-2-octyn-1-ol IUPAC Name: (1S,4S)-4-(benzotriazol-1-yl)-4-ethoxy-1-phenyloct-2-yn-1-ol Traditional Name: (1S,4S)-4-(benzotriazol-1-yl)-4-ethoxy-1-phenyl-oct-2-yn-1-ol Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#CC(C1=CC=CC=C1)O)(N2C3=CC=CC=C3N=N2)OCC

Isomeric SMILES

CCCC[C@](C#C[C@H](C1=CC=CC=C1)O)(N2C3=CC=CC=C3N=N2)OCC

InChI

InChI=1S/C22H25N3O2/c1-3-5-16-22(27-4-2,17-15-21(26)18-11-7-6-8-12-18)25-20-14-10-9-13-19(20)23-24-25/h6-14,21,26H,3-5,16H2,1-2H3/t21-,22+/m1/s1