(1R,4R,5S)-4-(benzotriazol-1-yl)-4-ethoxy-5-(4-methylphenyl)-1-phenyl-pent-2-yne-1,5-diol

Systemtic Name: (1R,4R,5S)-4-(benzotriazol-1-yl)-4-ethoxy-5-(4-methylphenyl)-1-phenyl-pent-2-yne-1,5-diol Openeye Name: (1R,4R,5S)-4-(benzotriazol-1-yl)-4-ethoxy-1-phenyl-5-(p-tolyl)pent-2-yne-1,5-diol CAS Name: (1R,4R,5S)-4-(1-benzotriazolyl)-4-ethoxy-5-(4-methylphenyl)-1-phenyl-2-pentyne-1,5-diol IUPAC Name: (1R,4R,5S)-4-(benzotriazol-1-yl)-4-ethoxy-5-(4-methylphenyl)-1-phenylpent-2-yne-1,5-diol Traditional Name: (1R,4R,5S)-4-(benzotriazol-1-yl)-4-ethoxy-1-phenyl-5-(p-tolyl)pent-2-yne-1,5-diol Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3/c1-3-32-26(25(31)21-15-13-19(2)14-16-21,18-17-24(30)20-9-5-4-6-10-20)29-23-12-8-7-11-22(23)27-28-29/h4-16,24-25,30-31H,3H2,1-2H3/t24-,25-,26+/m0/s1