(1S,2R)-2-(benzotriazol-1-yl)-2-ethoxy-1-(4-methylphenyl)-4-phenyl-but-3-yn-1-ol

Systemtic Name: (1S,2R)-2-(benzotriazol-1-yl)-2-ethoxy-1-(4-methylphenyl)-4-phenyl-but-3-yn-1-ol Openeye Name: (1S,2R)-2-(benzotriazol-1-yl)-2-ethoxy-4-phenyl-1-(p-tolyl)but-3-yn-1-ol CAS Name: (1S,2R)-2-(1-benzotriazolyl)-2-ethoxy-1-(4-methylphenyl)-4-phenyl-3-butyn-1-ol IUPAC Name: (1S,2R)-2-(benzotriazol-1-yl)-2-ethoxy-1-(4-methylphenyl)-4-phenylbut-3-yn-1-ol Traditional Name: (1S,2R)-2-(benzotriazol-1-yl)-2-ethoxy-4-phenyl-1-(p-tolyl)but-3-yn-1-ol Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C#CC1=CC=CC=C1)(C(C2=CC=C(C=C2)C)O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCO[C@](C#CC1=CC=CC=C1)([C@H](C2=CC=C(C=C2)C)O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H23N3O2/c1-3-30-25(18-17-20-9-5-4-6-10-20,24(29)21-15-13-19(2)14-16-21)28-23-12-8-7-11-22(23)26-27-28/h4-16,24,29H,3H2,1-2H3/t24-,25+/m0/s1