1-[(3R)-3-ethoxy-6-methyl-1-phenyl-hept-1-yn-3-yl]benzotriazole

Systemtic Name: 1-[(3R)-3-ethoxy-6-methyl-1-phenyl-hept-1-yn-3-yl]benzotriazole Openeye Name: 1-[(1R)-1-ethoxy-4-methyl-1-(2-phenylethynyl)pentyl]benzotriazole CAS Name: 1-[(3R)-3-ethoxy-6-methyl-1-phenylhept-1-yn-3-yl]benzotriazole IUPAC Name: 1-[(3R)-3-ethoxy-6-methyl-1-phenylhept-1-yn-3-yl]benzotriazole Traditional Name: 1-[(1R)-1-ethoxy-1-isoamyl-3-phenyl-prop-2-ynyl]benzotriazole Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCC(C)C)(C#CC1=CC=CC=C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCO[C@](CCC(C)C)(C#CC1=CC=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C22H25N3O/c1-4-26-22(16-14-18(2)3,17-15-19-10-6-5-7-11-19)25-21-13-9-8-12-20(21)23-24-25/h5-13,18H,4,14,16H2,1-3H3/t22-/m1/s1