methyl (2S)-2-(5-pent-1-ynyl-4-propyl-1,2,3-triazol-1-yl)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(5-pent-1-ynyl-4-propyl-1,2,3-triazol-1-yl)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(5-pent-1-ynyl-4-propyl-triazol-1-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(5-pent-1-ynyl-4-propyl-1-triazolyl)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(5-pent-1-ynyl-4-propyltriazol-1-yl)-3-phenylpropanoate Traditional Name: (2S)-2-(5-pent-1-ynyl-4-propyl-triazol-1-yl)-3-phenyl-propionic acid methyl ester Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(N=NN1C(CC2=CC=CC=C2)C(=O)OC)CCC

Isomeric SMILES

CCCC#CC1=C(N=NN1[C@@H](CC2=CC=CC=C2)C(=O)OC)CCC

InChI

InChI=1S/C20H25N3O2/c1-4-6-8-14-18-17(11-5-2)21-22-23(18)19(20(24)25-3)15-16-12-9-7-10-13-16/h7,9-10,12-13,19H,4-6,11,15H2,1-3H3/t19-/m0/s1