methyl 1-[2-(3-phenylpropanoylamino)phenyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-[2-(3-phenylpropanoylamino)phenyl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-[2-(3-phenylpropanoylamino)phenyl]triazole-4-carboxylate CAS Name: 1-[2-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-phenylpropanoylamino)phenyl]triazole-4-carboxylate Traditional Name: 1-[2-(hydrocinnamoylamino)phenyl]triazole-4-carboxylic acid methyl ester Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=N1)C2=CC=CC=C2NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(N=N1)C2=CC=CC=C2NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3/c1-26-19(25)16-13-23(22-21-16)17-10-6-5-9-15(17)20-18(24)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,24)