methyl (2S)-3-phenyl-2-[4-phenyl-5-(2-phenylethynyl)-1,2,3-triazol-1-yl]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[4-phenyl-5-(2-phenylethynyl)-1,2,3-triazol-1-yl]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[4-phenyl-5-(2-phenylethynyl)triazol-1-yl]propanoate CAS Name: (2S)-3-phenyl-2-[4-phenyl-5-(2-phenylethynyl)-1-triazolyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[4-phenyl-5-(2-phenylethynyl)triazol-1-yl]propanoate Traditional Name: (2S)-3-phenyl-2-[4-phenyl-5-(2-phenylethynyl)triazol-1-yl]propionic acid methyl ester Formula: C26H21N3O2 MolecularWeight: 407.46384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N2C(=C(N=N2)C3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)N2C(=C(N=N2)C3=CC=CC=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H21N3O2/c1-31-26(30)24(19-21-13-7-3-8-14-21)29-23(18-17-20-11-5-2-6-12-20)25(27-28-29)22-15-9-4-10-16-22/h2-16,24H,19H2,1H3/t24-/m0/s1